1-butyl-4-(propan-2-yloxymethyl)piperidine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-ethyl-4-(propan-2-yloxymethyl)piperidine;1-methyl-4-(2-methylpropoxy)piperidine;1-methyl-4-(propan-2-yloxymethyl)piperidine;1-methyl-4-propan-2-yloxypiperidine;1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;4-propan-2-yloxy-1-propylpiperidine

C84H176N10O7 — CID 158581800

IUPAC1-butyl-4-(propan-2-yloxymethyl)piperidine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-ethyl-4-(propan-2-yloxymethyl)piperidine;1-methyl-4-(2-methylpropoxy)piperidine;1-methyl-4-(propan-2-yloxymethyl)piperidine;1-methyl-4-propan-2-yloxypiperidine;1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;4-propan-2-yloxy-1-propylpiperidine
SMILESCC(C)COC1CCN(C)CC1.CC(C)N1CCC(N(C)C)C1.CC(C)OC1CCN(C)CC1.CC(C)OCC1CCN(C)CC1.CCC(=O)N1CCN(CC(C)C)CC1.CCCCN1CCC(COC(C)C)CC1.CCCN1CCC(OC(C)C)CC1.CCN1CCC(COC(C)C)CC1
InChIInChI=1S/C13H27NO.C11H22N2O.2C11H23NO.2C10H21NO.C9H20N2.C9H19NO/c1-4-5-8-14-9-6-13(7-10-14)11-15-12(2)3;1-4-11(14)13-7-5-12(6-8-13)9-10(2)3;1-4-12-7-5-11(6-8-12)9-13-10(2)3;1-4-7-12-8-5-11(6-9-12)13-10(2)3;1-9(2)12-8-10-4-6-11(3)7-5-10;1-9(2)8-12-10-4-6-11(3)7-5-10;1-8(2)11-6-5-9(7-11)10(3)4;1-8(2)11-9-4-6-10(3)7-5-9/h12-13H,4-11H2,1-3H3;10H,4-9H2,1-3H3;2*10-11H,4-9H2,1-3H3;2*9-10H,4-8H2,1-3H3;8-9H,5-7H2,1-4H3;8-9H,4-7H2,1-3H3
InChIKeyHTILZYPHFQBPLG-UHFFFAOYSA-N
MW1438.39 g/mol
LogP14.59
Rot. Bonds27

About 1-butyl-4-(propan-2-yloxymethyl)piperidine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-ethyl-4-(propan-2-yloxymethyl)piperidine;1-methyl-4-(2-methylpropoxy)piperidine;1-methyl-4-(propan-2-yloxymethyl)piperidine;1-methyl-4-propan-2-yloxypiperidine;1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;4-propan-2-yloxy-1-propylpiperidine

1-butyl-4-(propan-2-yloxymethyl)piperidine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-ethyl-4-(propan-2-yloxymethyl)piperidine;1-methyl-4-(2-methylpropoxy)piperidine;1-methyl-4-(propan-2-yloxymethyl)piperidine;1-methyl-4-propan-2-yloxypiperidine;1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;4-propan-2-yloxy-1-propylpiperidine (PubChem CID 158581800) has the molecular formula C84H176N10O7 and a molecular weight of 1438.39 g/mol. Its IUPAC name is 1-butyl-4-(propan-2-yloxymethyl)piperidine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-ethyl-4-(propan-2-yloxymethyl)piperidine;1-methyl-4-(2-methylpropoxy)piperidine;1-methyl-4-(propan-2-yloxymethyl)piperidine;1-methyl-4-propan-2-yloxypiperidine;1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;4-propan-2-yloxy-1-propylpiperidine.

Molecular Properties

Compound Name1-butyl-4-(propan-2-yloxymethyl)piperidine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-ethyl-4-(propan-2-yloxymethyl)piperidine;1-methyl-4-(2-methylpropoxy)piperidine;1-methyl-4-(propan-2-yloxymethyl)piperidine;1-methyl-4-propan-2-yloxypiperidine;1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;4-propan-2-yloxy-1-propylpiperidine
PubChem CID158581800
Molecular FormulaC84H176N10O7
Molecular Weight1438.39 g/mol
Exact Mass1437.37
IUPAC Name1-butyl-4-(propan-2-yloxymethyl)piperidine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-ethyl-4-(propan-2-yloxymethyl)piperidine;1-methyl-4-(2-methylpropoxy)piperidine;1-methyl-4-(propan-2-yloxymethyl)piperidine;1-methyl-4-propan-2-yloxypiperidine;1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;4-propan-2-yloxy-1-propylpiperidine
SMILESCC(C)COC1CCN(C)CC1.CC(C)N1CCC(N(C)C)C1.CC(C)OC1CCN(C)CC1.CC(C)OCC1CCN(C)CC1.CCC(=O)N1CCN(CC(C)C)CC1.CCCCN1CCC(COC(C)C)CC1.CCCN1CCC(OC(C)C)CC1.CCN1CCC(COC(C)C)CC1
InChIInChI=1S/C13H27NO.C11H22N2O.2C11H23NO.2C10H21NO.C9H20N2.C9H19NO/c1-4-5-8-14-9-6-13(7-10-14)11-15-12(2)3;1-4-11(14)13-7-5-12(6-8-13)9-10(2)3;1-4-12-7-5-11(6-8-12)9-13-10(2)3;1-4-7-12-8-5-11(6-9-12)13-10(2)3;1-9(2)12-8-10-4-6-11(3)7-5-10;1-9(2)8-12-10-4-6-11(3)7-5-10;1-8(2)11-6-5-9(7-11)10(3)4;1-8(2)11-9-4-6-10(3)7-5-9/h12-13H,4-11H2,1-3H3;10H,4-9H2,1-3H3;2*10-11H,4-9H2,1-3H3;2*9-10H,4-8H2,1-3H3;8-9H,5-7H2,1-4H3;8-9H,4-7H2,1-3H3
InChIKeyHTILZYPHFQBPLG-UHFFFAOYSA-N
XLogP14.59
TPSA104.85 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds27
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001438.39
LogP ≤ 514.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 1-butyl-4-(propan-2-yloxymethyl)piperidine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-ethyl-4-(propan-2-yloxymethyl)piperidine;1-methyl-4-(2-methylpropoxy)piperidine;1-methyl-4-(propan-2-yloxymethyl)piperidine;1-methyl-4-propan-2-yloxypiperidine;1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;4-propan-2-yloxy-1-propylpiperidine with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 4-tert-butylpiperazine-1-carboxylate;1-tert-butyl-4-(1-methylpiperidin-4-yl)piperazine;(3S)-1-tert-butyl-3-methylpyrrolidine;1-tert-butylpiperidine;ethyl 4-tert-butylpiperazine-1-carboxylate;1-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidine
CID 158453951
(2S,6R)-2,6-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)morpholine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]ethanone;1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine
CID 165020891

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(propan-2-yloxymethyl)piperidine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-ethyl-4-(propan-2-yloxymethyl)piperidine;1-methyl-4-(2-methylpropoxy)piperidine;1-methyl-4-(propan-2-yloxymethyl)piperidine;1-methyl-4-propan-2-yloxypiperidine;1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;4-propan-2-yloxy-1-propylpiperidine?
The IUPAC name of 1-butyl-4-(propan-2-yloxymethyl)piperidine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-ethyl-4-(propan-2-yloxymethyl)piperidine;1-methyl-4-(2-methylpropoxy)piperidine;1-methyl-4-(propan-2-yloxymethyl)piperidine;1-methyl-4-propan-2-yloxypiperidine;1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;4-propan-2-yloxy-1-propylpiperidine (CID 158581800) is 1-butyl-4-(propan-2-yloxymethyl)piperidine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-ethyl-4-(propan-2-yloxymethyl)piperidine;1-methyl-4-(2-methylpropoxy)piperidine;1-methyl-4-(propan-2-yloxymethyl)piperidine;1-methyl-4-propan-2-yloxypiperidine;1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;4-propan-2-yloxy-1-propylpiperidine.
What is the SMILES notation for 1-butyl-4-(propan-2-yloxymethyl)piperidine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-ethyl-4-(propan-2-yloxymethyl)piperidine;1-methyl-4-(2-methylpropoxy)piperidine;1-methyl-4-(propan-2-yloxymethyl)piperidine;1-methyl-4-propan-2-yloxypiperidine;1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;4-propan-2-yloxy-1-propylpiperidine?
The canonical SMILES for 1-butyl-4-(propan-2-yloxymethyl)piperidine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-ethyl-4-(propan-2-yloxymethyl)piperidine;1-methyl-4-(2-methylpropoxy)piperidine;1-methyl-4-(propan-2-yloxymethyl)piperidine;1-methyl-4-propan-2-yloxypiperidine;1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;4-propan-2-yloxy-1-propylpiperidine is CC(C)COC1CCN(C)CC1.CC(C)N1CCC(N(C)C)C1.CC(C)OC1CCN(C)CC1.CC(C)OCC1CCN(C)CC1.CCC(=O)N1CCN(CC(C)C)CC1.CCCCN1CCC(COC(C)C)CC1.CCCN1CCC(OC(C)C)CC1.CCN1CCC(COC(C)C)CC1.
What is the InChIKey of 1-butyl-4-(propan-2-yloxymethyl)piperidine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-ethyl-4-(propan-2-yloxymethyl)piperidine;1-methyl-4-(2-methylpropoxy)piperidine;1-methyl-4-(propan-2-yloxymethyl)piperidine;1-methyl-4-propan-2-yloxypiperidine;1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;4-propan-2-yloxy-1-propylpiperidine?
The InChIKey is HTILZYPHFQBPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO.C11H22N2O.2C11H23NO.2C10H21NO.C9H20N2.C9H19NO/c1-4-5-8-14-9-6-13(7-10-14)11-15-12(2)3;1-4-11(14)13-7-5-12(6-8-13)9-10(2)3;1-4-12-7-5-11(6-8-12)9-13-10(2)3;1-4-7-12-8-5-11(6-9-12)13-10(2)3;1-9(2)12-8-10-4-6-11(3)7-5-10;1-9(2)8-12-10-4-6-11(3)7-5-10;1-8(2)11-6-5-9(7-11)10(3)4;1-8(2)11-9-4-6-10(3)7-5-9/h12-13H,4-11H2,1-3H3;10H,4-9H2,1-3H3;2*10-11H,4-9H2,1-3H3;2*9-10H,4-8H2,1-3H3;8-9H,5-7H2,1-4H3;8-9H,4-7H2,1-3H3.
What are the key properties of 1-butyl-4-(propan-2-yloxymethyl)piperidine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-ethyl-4-(propan-2-yloxymethyl)piperidine;1-methyl-4-(2-methylpropoxy)piperidine;1-methyl-4-(propan-2-yloxymethyl)piperidine;1-methyl-4-propan-2-yloxypiperidine;1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;4-propan-2-yloxy-1-propylpiperidine?
1-butyl-4-(propan-2-yloxymethyl)piperidine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-ethyl-4-(propan-2-yloxymethyl)piperidine;1-methyl-4-(2-methylpropoxy)piperidine;1-methyl-4-(propan-2-yloxymethyl)piperidine;1-methyl-4-propan-2-yloxypiperidine;1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;4-propan-2-yloxy-1-propylpiperidine has a molecular weight of 1438.39 g/mol, XLogP of 14.59, 27 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(propan-2-yloxymethyl)piperidine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-ethyl-4-(propan-2-yloxymethyl)piperidine;1-methyl-4-(2-methylpropoxy)piperidine;1-methyl-4-(propan-2-yloxymethyl)piperidine;1-methyl-4-propan-2-yloxypiperidine;1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;4-propan-2-yloxy-1-propylpiperidine is sourced from PubChem (CID 158581800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).