4-fluoro-1-propan-2-ylpiperidine;1-methyl-4-(propan-2-yloxymethyl)piperazine;1-methyl-4-(propan-2-yloxymethyl)piperidine;bis(1-methyl-3-(propan-2-yloxymethyl)pyrrolidine);3-methyl-1-propan-2-ylpyrrolidine;4-(propan-2-yloxymethyl)morpholine;1-(propan-2-yloxymethyl)piperazine;1-(propan-2-yloxymethyl)piperidine;1-propan-2-ylpyrrolidine

C85H181FN12O8 — CID 159713432

IUPAC4-fluoro-1-propan-2-ylpiperidine;1-methyl-4-(propan-2-yloxymethyl)piperazine;1-methyl-4-(propan-2-yloxymethyl)piperidine;bis(1-methyl-3-(propan-2-yloxymethyl)pyrrolidine);3-methyl-1-propan-2-ylpyrrolidine;4-(propan-2-yloxymethyl)morpholine;1-(propan-2-yloxymethyl)piperazine;1-(propan-2-yloxymethyl)piperidine;1-propan-2-ylpyrrolidine
SMILESCC(C)N1CCC(F)CC1.CC(C)N1CCCC1.CC(C)OCC1CCN(C)C1.CC(C)OCC1CCN(C)C1.CC(C)OCC1CCN(C)CC1.CC(C)OCN1CCCCC1.CC(C)OCN1CCN(C)CC1.CC(C)OCN1CCNCC1.CC(C)OCN1CCOCC1.CC1CCN(C(C)C)C1
InChIInChI=1S/C10H21NO.C9H20N2O.3C9H19NO.C8H16FN.C8H18N2O.C8H17NO2.C8H17N.C7H15N/c1-9(2)12-8-10-4-6-11(3)7-5-10;1-9(2)12-8-11-6-4-10(3)5-7-11;2*1-8(2)11-7-9-4-5-10(3)6-9;1-9(2)11-8-10-6-4-3-5-7-10;1-7(2)10-5-3-8(9)4-6-10;1-8(2)11-7-10-5-3-9-4-6-10;1-8(2)11-7-9-3-5-10-6-4-9;1-7(2)9-5-4-8(3)6-9;1-7(2)8-5-3-4-6-8/h9-10H,4-8H2,1-3H3;9H,4-8H2,1-3H3;2*8-9H,4-7H2,1-3H3;9H,3-8H2,1-2H3;7-8H,3-6H2,1-2H3;8-9H,3-7H2,1-2H3;8H,3-7H2,1-2H3;7-8H,4-6H2,1-3H3;7H,3-6H2,1-2H3
InChIKeyMZCZYCCTPGUBNR-UHFFFAOYSA-N
MW1518.46 g/mol
LogP12.98
Rot. Bonds24

About 4-fluoro-1-propan-2-ylpiperidine;1-methyl-4-(propan-2-yloxymethyl)piperazine;1-methyl-4-(propan-2-yloxymethyl)piperidine;bis(1-methyl-3-(propan-2-yloxymethyl)pyrrolidine);3-methyl-1-propan-2-ylpyrrolidine;4-(propan-2-yloxymethyl)morpholine;1-(propan-2-yloxymethyl)piperazine;1-(propan-2-yloxymethyl)piperidine;1-propan-2-ylpyrrolidine

4-fluoro-1-propan-2-ylpiperidine;1-methyl-4-(propan-2-yloxymethyl)piperazine;1-methyl-4-(propan-2-yloxymethyl)piperidine;bis(1-methyl-3-(propan-2-yloxymethyl)pyrrolidine);3-methyl-1-propan-2-ylpyrrolidine;4-(propan-2-yloxymethyl)morpholine;1-(propan-2-yloxymethyl)piperazine;1-(propan-2-yloxymethyl)piperidine;1-propan-2-ylpyrrolidine (PubChem CID 159713432) has the molecular formula C85H181FN12O8 and a molecular weight of 1518.46 g/mol. Its IUPAC name is 4-fluoro-1-propan-2-ylpiperidine;1-methyl-4-(propan-2-yloxymethyl)piperazine;1-methyl-4-(propan-2-yloxymethyl)piperidine;bis(1-methyl-3-(propan-2-yloxymethyl)pyrrolidine);3-methyl-1-propan-2-ylpyrrolidine;4-(propan-2-yloxymethyl)morpholine;1-(propan-2-yloxymethyl)piperazine;1-(propan-2-yloxymethyl)piperidine;1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name4-fluoro-1-propan-2-ylpiperidine;1-methyl-4-(propan-2-yloxymethyl)piperazine;1-methyl-4-(propan-2-yloxymethyl)piperidine;bis(1-methyl-3-(propan-2-yloxymethyl)pyrrolidine);3-methyl-1-propan-2-ylpyrrolidine;4-(propan-2-yloxymethyl)morpholine;1-(propan-2-yloxymethyl)piperazine;1-(propan-2-yloxymethyl)piperidine;1-propan-2-ylpyrrolidine
PubChem CID159713432
Molecular FormulaC85H181FN12O8
Molecular Weight1518.46 g/mol
Exact Mass1517.41
IUPAC Name4-fluoro-1-propan-2-ylpiperidine;1-methyl-4-(propan-2-yloxymethyl)piperazine;1-methyl-4-(propan-2-yloxymethyl)piperidine;bis(1-methyl-3-(propan-2-yloxymethyl)pyrrolidine);3-methyl-1-propan-2-ylpyrrolidine;4-(propan-2-yloxymethyl)morpholine;1-(propan-2-yloxymethyl)piperazine;1-(propan-2-yloxymethyl)piperidine;1-propan-2-ylpyrrolidine
SMILESCC(C)N1CCC(F)CC1.CC(C)N1CCCC1.CC(C)OCC1CCN(C)C1.CC(C)OCC1CCN(C)C1.CC(C)OCC1CCN(C)CC1.CC(C)OCN1CCCCC1.CC(C)OCN1CCN(C)CC1.CC(C)OCN1CCNCC1.CC(C)OCN1CCOCC1.CC1CCN(C(C)C)C1
InChIInChI=1S/C10H21NO.C9H20N2O.3C9H19NO.C8H16FN.C8H18N2O.C8H17NO2.C8H17N.C7H15N/c1-9(2)12-8-10-4-6-11(3)7-5-10;1-9(2)12-8-11-6-4-10(3)5-7-11;2*1-8(2)11-7-9-4-5-10(3)6-9;1-9(2)11-8-10-6-4-3-5-7-10;1-7(2)10-5-3-8(9)4-6-10;1-8(2)11-7-10-5-3-9-4-6-10;1-8(2)11-7-9-3-5-10-6-4-9;1-7(2)9-5-4-8(3)6-9;1-7(2)8-5-3-4-6-8/h9-10H,4-8H2,1-3H3;9H,4-8H2,1-3H3;2*8-9H,4-7H2,1-3H3;9H,3-8H2,1-2H3;7-8H,3-6H2,1-2H3;8-9H,3-7H2,1-2H3;8H,3-7H2,1-2H3;7-8H,4-6H2,1-3H3;7H,3-6H2,1-2H3
InChIKeyMZCZYCCTPGUBNR-UHFFFAOYSA-N
XLogP12.98
TPSA121.51 Ų
H-Bond Donors1
H-Bond Acceptors20
Rotatable Bonds24
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001518.46
LogP ≤ 512.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1020

Analyze 4-fluoro-1-propan-2-ylpiperidine;1-methyl-4-(propan-2-yloxymethyl)piperazine;1-methyl-4-(propan-2-yloxymethyl)piperidine;bis(1-methyl-3-(propan-2-yloxymethyl)pyrrolidine);3-methyl-1-propan-2-ylpyrrolidine;4-(propan-2-yloxymethyl)morpholine;1-(propan-2-yloxymethyl)piperazine;1-(propan-2-yloxymethyl)piperidine;1-propan-2-ylpyrrolidine with MolForge

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Related Compounds

N-tert-butylcyclopentanamine;N-tert-butyl-N',N'-diethylethane-1,2-diamine;1-tert-butyl-N,N-dimethylpiperidin-4-amine;N-tert-butyl-3-methylpiperidin-4-amine;N-tert-butylpiperidin-3-amine;N-tert-butylpiperidin-4-amine;3,3-difluoropiperidin-4-amine;1-ethyl-3-fluoropiperidin-4-amine;1-ethylpiperidin-3-amine;1-ethylpyrrolidin-3-amine;N-[(4-fluoropiperidin-4-yl)methyl]-2-methylpropan-2-amine;methane;2-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propan-2-amine;4-methylpiperidin-4-amine;hexakis(2-methylpropane);3-[(2-methylpropan-2-yl)oxy]-1-azabicyclo[2.2.1]heptane;oxan-2-ylmethanamine
CID 158614735
4,4-difluoro-1-propan-2-ylpiperidine;N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;1,4-di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-(2-methylpropyl)piperazine;1-methyl-4-(2-methylpropyl)piperidine;(1S,4S)-2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-4-propan-2-ylpiperazine;1-(2-methylpropyl)pyrrolidine;4-propan-2-ylmorpholine;1-(2-propan-2-yloxyethyl)piperazine;1-(2-propan-2-yloxyethyl)piperidine;1-(2-propan-2-yloxyethyl)pyrrolidine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;4-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 158684961
CID 158838479
CID 158838479
4,4-difluoro-1-propan-2-ylpiperidine;N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;1,4-di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-(2-methylpropyl)piperazine;1-methyl-4-(2-methylpropyl)piperidine;(1S,4S)-2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-4-propan-2-ylpiperazine;1-(2-methylpropyl)pyrrolidine;4-propan-2-ylmorpholine;1-(2-propan-2-yloxyethyl)piperidine;1-(2-propan-2-yloxyethyl)pyrrolidine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 159599369
2-cyclopropyl-4-propan-2-ylmorpholine;2,2-dimethyl-4-propan-2-ylmorpholine;(2S,6S)-2,6-dimethyl-4-propan-2-ylmorpholine;(2R,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;(2R,6S)-2,6-dimethyl-4-propan-2-ylmorpholine;(2R)-2-ethyl-4-propan-2-ylmorpholine;bis((2R)-2-methyl-4-propan-2-ylmorpholine);bis((2S)-2-methyl-4-propan-2-ylmorpholine);2-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;2-methyl-1-propan-2-ylpiperidine;bis(4-methyl-1-propan-2-ylpiperidine);2-methyl-1-propan-2-ylpyrrolidine;(2S)-2-methyl-1-propan-2-ylpyrrolidine;tris(1-propan-2-ylpiperidine);(3S)-1-propan-2-yl-3-(trifluoromethyl)piperidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)piperidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine;(3S)-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine
CID 160209125
2,2-dimethyl-4-propan-2-ylmorpholine;(2R)-2-ethyl-4-propan-2-ylmorpholine;(2R)-2-methyl-4-propan-2-ylmorpholine;(2S)-2-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;2-methyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);(2R)-4-propan-2-yl-2-(trifluoromethyl)morpholine;(2S)-4-propan-2-yl-2-(trifluoromethyl)morpholine;4-propan-2-yl-2-(trifluoromethyl)morpholine;1-propan-2-yl-4-(trifluoromethyl)piperidine;(3S)-1-propan-2-yl-3-(trifluoromethyl)piperidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)piperidine;1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(2R)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(3S)-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine
CID 161285337
4,4-difluoro-1-(2-methylpropyl)piperidine;methane;3-methyl-1-(2-methylpropyl)azetidine;4-methyl-1-(2-methylpropyl)piperidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-N-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidine;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine;1-(2-propan-2-yloxyethyl)pyrrolidine;1-propan-2-ylpyrrolidine
CID 167706385
N,N-diethyl-3-methoxypropan-1-amine;N-ethyl-2-methoxy-N-methylethanamine;2-methoxy-N,N-dimethylethanamine;3-methoxy-N,N-dimethylpropan-1-amine;3-methoxy-N,N-di(propan-2-yl)propan-1-amine;1-(2-methoxyethyl)-4-(methoxymethyl)piperidine;1-(2-methoxyethyl)-2-(methoxymethyl)pyrrolidine;1-(2-methoxyethyl)-4-methylpiperazine;4-(2-methoxyethyl)morpholine;1-(2-methoxyethyl)piperazine;1-(2-methoxyethyl)piperidine;N-(2-methoxyethyl)-N-propan-2-ylpropan-2-amine;1-(2-methoxyethyl)pyrrolidine;2-methoxy-N-methylethanamine;4-(methoxymethyl)-1-methylpiperidine;2-(methoxymethyl)-1-methylpyrrolidine;4-(methoxymethyl)piperidine;3-methoxy-N-methylpropan-1-amine;2-(methoxymethyl)pyrrolidine;3-methoxy-1-methylpyrrolidine;1-(3-methoxypropyl)-4-methylpiperazine;4-(3-methoxypropyl)morpholine;1-(3-methoxypropyl)piperazine;1-(3-methoxypropyl)piperidine;1-(3-methoxypropyl)pyrrolidine;3-methoxypyrrolidine
CID 157204754
N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine;1-methyl-4-(propan-2-yloxymethyl)piperazine;1-methyl-4-(propan-2-yloxymethyl)piperidine;bis(1-methyl-3-(propan-2-yloxymethyl)pyrrolidine);4-methyl-1-propan-2-ylpiperidine;bis(3-methyl-1-propan-2-ylpyrrolidine);N-[(1-methylpyrrolidin-3-yl)methyl]propan-2-amine;tris(1-(propan-2-yloxymethyl)piperidine)
CID 157417260
azetidine;2,6-dimethylmorpholine;N-ethylethanamine;3-fluoro-3-methylpyrrolidine;3-methoxyazetidine;4-methoxypiperidine;1-methyl-1,4-diazepane;N-methylmethanamine;1-methylpiperazine;bis(3-methylpyrrolidine);morpholine;piperidine;1-propan-2-ylpiperazine;N-propylpropan-1-amine;pyrrolidine
CID 158604053
3-azabicyclo[3.1.0]hexane;2,6-dimethylmorpholine;(2S,6S)-2,6-dimethylmorpholine;(2R,6R)-2,6-dimethylmorpholine;(2S,6R)-2,6-dimethylmorpholine;2,6-dimethylpiperidine;(2S,6R)-2,6-dimethylpiperidine;(2S,6S)-2,6-dimethylpiperidine;(2R,6R)-2,6-dimethylpiperidine;N,N-dimethylpyrrolidin-3-amine;(3R)-N,N-dimethylpyrrolidin-3-amine;2-methylpiperidine;(2S)-2-methylpiperidine;(2R)-2-methylpiperidine;bis(piperidine);pyrrolidine
CID 161643901
3-azabicyclo[3.1.0]hexane;2,6-dimethylmorpholine;(2S,6S)-2,6-dimethylmorpholine;(2R,6R)-2,6-dimethylmorpholine;(2S,6R)-2,6-dimethylmorpholine;2,6-dimethylpiperidine;(2S,6R)-2,6-dimethylpiperidine;(2S,6S)-2,6-dimethylpiperidine;(2R,6R)-2,6-dimethylpiperidine;(3S)-N,N-dimethylpyrrolidin-3-amine;(3R)-N,N-dimethylpyrrolidin-3-amine;2-methylpiperidine;(2S)-2-methylpiperidine;(2R)-2-methylpiperidine;bis(piperidine);pyrrolidine
CID 161643902

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-propan-2-ylpiperidine;1-methyl-4-(propan-2-yloxymethyl)piperazine;1-methyl-4-(propan-2-yloxymethyl)piperidine;bis(1-methyl-3-(propan-2-yloxymethyl)pyrrolidine);3-methyl-1-propan-2-ylpyrrolidine;4-(propan-2-yloxymethyl)morpholine;1-(propan-2-yloxymethyl)piperazine;1-(propan-2-yloxymethyl)piperidine;1-propan-2-ylpyrrolidine?
The IUPAC name of 4-fluoro-1-propan-2-ylpiperidine;1-methyl-4-(propan-2-yloxymethyl)piperazine;1-methyl-4-(propan-2-yloxymethyl)piperidine;bis(1-methyl-3-(propan-2-yloxymethyl)pyrrolidine);3-methyl-1-propan-2-ylpyrrolidine;4-(propan-2-yloxymethyl)morpholine;1-(propan-2-yloxymethyl)piperazine;1-(propan-2-yloxymethyl)piperidine;1-propan-2-ylpyrrolidine (CID 159713432) is 4-fluoro-1-propan-2-ylpiperidine;1-methyl-4-(propan-2-yloxymethyl)piperazine;1-methyl-4-(propan-2-yloxymethyl)piperidine;bis(1-methyl-3-(propan-2-yloxymethyl)pyrrolidine);3-methyl-1-propan-2-ylpyrrolidine;4-(propan-2-yloxymethyl)morpholine;1-(propan-2-yloxymethyl)piperazine;1-(propan-2-yloxymethyl)piperidine;1-propan-2-ylpyrrolidine.
What is the SMILES notation for 4-fluoro-1-propan-2-ylpiperidine;1-methyl-4-(propan-2-yloxymethyl)piperazine;1-methyl-4-(propan-2-yloxymethyl)piperidine;bis(1-methyl-3-(propan-2-yloxymethyl)pyrrolidine);3-methyl-1-propan-2-ylpyrrolidine;4-(propan-2-yloxymethyl)morpholine;1-(propan-2-yloxymethyl)piperazine;1-(propan-2-yloxymethyl)piperidine;1-propan-2-ylpyrrolidine?
The canonical SMILES for 4-fluoro-1-propan-2-ylpiperidine;1-methyl-4-(propan-2-yloxymethyl)piperazine;1-methyl-4-(propan-2-yloxymethyl)piperidine;bis(1-methyl-3-(propan-2-yloxymethyl)pyrrolidine);3-methyl-1-propan-2-ylpyrrolidine;4-(propan-2-yloxymethyl)morpholine;1-(propan-2-yloxymethyl)piperazine;1-(propan-2-yloxymethyl)piperidine;1-propan-2-ylpyrrolidine is CC(C)N1CCC(F)CC1.CC(C)N1CCCC1.CC(C)OCC1CCN(C)C1.CC(C)OCC1CCN(C)C1.CC(C)OCC1CCN(C)CC1.CC(C)OCN1CCCCC1.CC(C)OCN1CCN(C)CC1.CC(C)OCN1CCNCC1.CC(C)OCN1CCOCC1.CC1CCN(C(C)C)C1.
What is the InChIKey of 4-fluoro-1-propan-2-ylpiperidine;1-methyl-4-(propan-2-yloxymethyl)piperazine;1-methyl-4-(propan-2-yloxymethyl)piperidine;bis(1-methyl-3-(propan-2-yloxymethyl)pyrrolidine);3-methyl-1-propan-2-ylpyrrolidine;4-(propan-2-yloxymethyl)morpholine;1-(propan-2-yloxymethyl)piperazine;1-(propan-2-yloxymethyl)piperidine;1-propan-2-ylpyrrolidine?
The InChIKey is MZCZYCCTPGUBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO.C9H20N2O.3C9H19NO.C8H16FN.C8H18N2O.C8H17NO2.C8H17N.C7H15N/c1-9(2)12-8-10-4-6-11(3)7-5-10;1-9(2)12-8-11-6-4-10(3)5-7-11;2*1-8(2)11-7-9-4-5-10(3)6-9;1-9(2)11-8-10-6-4-3-5-7-10;1-7(2)10-5-3-8(9)4-6-10;1-8(2)11-7-10-5-3-9-4-6-10;1-8(2)11-7-9-3-5-10-6-4-9;1-7(2)9-5-4-8(3)6-9;1-7(2)8-5-3-4-6-8/h9-10H,4-8H2,1-3H3;9H,4-8H2,1-3H3;2*8-9H,4-7H2,1-3H3;9H,3-8H2,1-2H3;7-8H,3-6H2,1-2H3;8-9H,3-7H2,1-2H3;8H,3-7H2,1-2H3;7-8H,4-6H2,1-3H3;7H,3-6H2,1-2H3.
What are the key properties of 4-fluoro-1-propan-2-ylpiperidine;1-methyl-4-(propan-2-yloxymethyl)piperazine;1-methyl-4-(propan-2-yloxymethyl)piperidine;bis(1-methyl-3-(propan-2-yloxymethyl)pyrrolidine);3-methyl-1-propan-2-ylpyrrolidine;4-(propan-2-yloxymethyl)morpholine;1-(propan-2-yloxymethyl)piperazine;1-(propan-2-yloxymethyl)piperidine;1-propan-2-ylpyrrolidine?
4-fluoro-1-propan-2-ylpiperidine;1-methyl-4-(propan-2-yloxymethyl)piperazine;1-methyl-4-(propan-2-yloxymethyl)piperidine;bis(1-methyl-3-(propan-2-yloxymethyl)pyrrolidine);3-methyl-1-propan-2-ylpyrrolidine;4-(propan-2-yloxymethyl)morpholine;1-(propan-2-yloxymethyl)piperazine;1-(propan-2-yloxymethyl)piperidine;1-propan-2-ylpyrrolidine has a molecular weight of 1518.46 g/mol, XLogP of 12.98, 24 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-propan-2-ylpiperidine;1-methyl-4-(propan-2-yloxymethyl)piperazine;1-methyl-4-(propan-2-yloxymethyl)piperidine;bis(1-methyl-3-(propan-2-yloxymethyl)pyrrolidine);3-methyl-1-propan-2-ylpyrrolidine;4-(propan-2-yloxymethyl)morpholine;1-(propan-2-yloxymethyl)piperazine;1-(propan-2-yloxymethyl)piperidine;1-propan-2-ylpyrrolidine is sourced from PubChem (CID 159713432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).