3-(azetidin-1-yl)piperidine;N,N-dimethylpiperidin-3-amine;1-piperidin-3-ylpiperidine;4-pyrrolidin-3-ylmorpholine;1-pyrrolidin-3-ylpiperidine;3-pyrrolidin-1-ylpiperidine

C51H104N12O — CID 157063805

IUPAC3-(azetidin-1-yl)piperidine;N,N-dimethylpiperidin-3-amine;1-piperidin-3-ylpiperidine;4-pyrrolidin-3-ylmorpholine;1-pyrrolidin-3-ylpiperidine;3-pyrrolidin-1-ylpiperidine
SMILESC1CC(N2CCOCC2)CN1.C1CCN(C2CCCNC2)CC1.C1CCN(C2CCNC2)CC1.C1CNCC(N2CCC2)C1.C1CNCC(N2CCCC2)C1.CN(C)C1CCCNC1
InChIInChI=1S/C10H20N2.2C9H18N2.C8H16N2O.C8H16N2.C7H16N2/c1-2-7-12(8-3-1)10-5-4-6-11-9-10;1-2-7-11(6-1)9-4-3-5-10-8-9;1-2-6-11(7-3-1)9-4-5-10-8-9;1-2-9-7-8(1)10-3-5-11-6-4-10;1-3-8(7-9-4-1)10-5-2-6-10;1-9(2)7-4-3-5-8-6-7/h10-11H,1-9H2;2*9-10H,1-8H2;8-9H,1-7H2;8-9H,1-7H2;7-8H,3-6H2,1-2H3
InChIKeyABQFBSRODYTVPU-UHFFFAOYSA-N
MW901.48 g/mol
LogP3.32
Rot. Bonds6

About 3-(azetidin-1-yl)piperidine;N,N-dimethylpiperidin-3-amine;1-piperidin-3-ylpiperidine;4-pyrrolidin-3-ylmorpholine;1-pyrrolidin-3-ylpiperidine;3-pyrrolidin-1-ylpiperidine

3-(azetidin-1-yl)piperidine;N,N-dimethylpiperidin-3-amine;1-piperidin-3-ylpiperidine;4-pyrrolidin-3-ylmorpholine;1-pyrrolidin-3-ylpiperidine;3-pyrrolidin-1-ylpiperidine (PubChem CID 157063805) has the molecular formula C51H104N12O and a molecular weight of 901.48 g/mol. Its IUPAC name is 3-(azetidin-1-yl)piperidine;N,N-dimethylpiperidin-3-amine;1-piperidin-3-ylpiperidine;4-pyrrolidin-3-ylmorpholine;1-pyrrolidin-3-ylpiperidine;3-pyrrolidin-1-ylpiperidine.

Molecular Properties

Compound Name3-(azetidin-1-yl)piperidine;N,N-dimethylpiperidin-3-amine;1-piperidin-3-ylpiperidine;4-pyrrolidin-3-ylmorpholine;1-pyrrolidin-3-ylpiperidine;3-pyrrolidin-1-ylpiperidine
PubChem CID157063805
Molecular FormulaC51H104N12O
Molecular Weight901.48 g/mol
Exact Mass900.85
IUPAC Name3-(azetidin-1-yl)piperidine;N,N-dimethylpiperidin-3-amine;1-piperidin-3-ylpiperidine;4-pyrrolidin-3-ylmorpholine;1-pyrrolidin-3-ylpiperidine;3-pyrrolidin-1-ylpiperidine
SMILESC1CC(N2CCOCC2)CN1.C1CCN(C2CCCNC2)CC1.C1CCN(C2CCNC2)CC1.C1CNCC(N2CCC2)C1.C1CNCC(N2CCCC2)C1.CN(C)C1CCCNC1
InChIInChI=1S/C10H20N2.2C9H18N2.C8H16N2O.C8H16N2.C7H16N2/c1-2-7-12(8-3-1)10-5-4-6-11-9-10;1-2-7-11(6-1)9-4-3-5-10-8-9;1-2-6-11(7-3-1)9-4-5-10-8-9;1-2-9-7-8(1)10-3-5-11-6-4-10;1-3-8(7-9-4-1)10-5-2-6-10;1-9(2)7-4-3-5-8-6-7/h10-11H,1-9H2;2*9-10H,1-8H2;8-9H,1-7H2;8-9H,1-7H2;7-8H,3-6H2,1-2H3
InChIKeyABQFBSRODYTVPU-UHFFFAOYSA-N
XLogP3.32
TPSA100.85 Ų
H-Bond Donors6
H-Bond Acceptors13
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500901.48
LogP ≤ 53.32
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1013

Analyze 3-(azetidin-1-yl)piperidine;N,N-dimethylpiperidin-3-amine;1-piperidin-3-ylpiperidine;4-pyrrolidin-3-ylmorpholine;1-pyrrolidin-3-ylpiperidine;3-pyrrolidin-1-ylpiperidine with MolForge

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Related Compounds

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-diethylpropan-2-amine;N,N-diethyl-1-propan-2-ylpyrrolidin-3-amine;N,N-dimethylpropan-2-amine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;N-ethyl-N-methylpropan-2-amine;N-ethyl-N-methyl-1-propan-2-ylpyrrolidin-3-amine;bis(N-ethylpropan-2-amine);1-ethyl-4-propan-2-ylpiperazine;N-methylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazetidine;N-propan-2-ylcyclopropanamine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);N-propan-2-ylpropan-1-amine;N-propan-2-ylpropan-2-amine;1-propan-2-ylpyrrolidine
CID 157129789
methane;3-methylbutan-1-amine;4-(3-methylbutyl)morpholine;bis(1-(3-methylbutyl)piperazine);N-(3-methylbutyl)piperidin-4-amine;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine
CID 157192131
Bis(1-tert-butylpiperidine);1-(2,2-dimethylpropyl)piperazine;1-(2,2-dimethylpropyl)piperidine;methane;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine
CID 157597224
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-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine
CID 157606312
N,N-diethyl-3-methylbutan-2-amine;N,N-diethyl-1-(3-methylbutan-2-yl)pyrrolidin-3-amine;N,3-dimethylbutan-2-amine;N,N-dimethyl-1-(3-methylbutan-2-yl)pyrrolidin-3-amine;N-ethyl-N,3-dimethylbutan-2-amine;bis(N-ethyl-3-methylbutan-2-amine);1-ethyl-4-(3-methylbutan-2-yl)piperazine;N-ethyl-N-methyl-1-(3-methylbutan-2-yl)pyrrolidin-3-amine;1-(3-methylbutan-2-yl)azetidine;N-(3-methylbutan-2-yl)cyclopropanamine;4-(3-methylbutan-2-yl)morpholine;bis(1-(3-methylbutan-2-yl)piperidine);1-(3-methylbutan-2-yl)pyrrolidine;1-methyl-4-(3-methylbutan-2-yl)piperazine;3-methyl-N-propan-2-ylbutan-2-amine;3-methyl-N-propylbutan-2-amine;N,N,3-trimethylbutan-2-amine
CID 157861419
1-Tert-butylpiperazine;1-tert-butylpiperidine;methane;1-(2-methylpropyl)piperazine;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine
CID 158169296
2-Propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 158487728
3-(azetidin-1-yl)piperidine;4-(azetidin-1-yl)piperidine;N,N-dimethylpiperidin-3-amine;N,N-dimethylpiperidin-4-amine;4-piperidin-3-ylmorpholine;1-piperidin-3-ylpiperidine;4-pyrrolidin-3-ylmorpholine;3-pyrrolidin-1-ylpiperidine
CID 158775727
N,N-dimethyl-2-(2-methylpyrrolidin-1-yl)ethanamine;3,4-dimethylmorpholine;1,2-dimethylpiperidine;1-methyl-4-[2-(2-methylpyrrolidin-1-yl)ethyl]piperazine;4-[2-(2-methylpyrrolidin-1-yl)ethyl]morpholine;1,2,4-trimethylpiperazine
CID 158863611
(2R)-1,2-dimethyl-4-propan-2-ylpiperazine;(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;(3R)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;(3R)-N-ethyl-N-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R)-N-(2-methoxyethyl)-N-methyl-1-propan-2-ylpyrrolidin-3-amine;1-methyl-4-propan-2-ylpiperazine;(2S,6S)-1,2,6-trimethyl-4-propan-2-ylpiperazine;(2R,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine;bis((2S,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine)
CID 159280460
(2R)-1,2-dimethyl-4-propan-2-ylpiperazine;(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;(3R)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;(3R)-N-ethyl-N-methyl-1-propan-2-ylpyrrolidin-3-amine;methane;(3R)-N-(2-methoxyethyl)-N-methyl-1-propan-2-ylpyrrolidin-3-amine;1-methyl-4-propan-2-ylpiperazine;bis((2S,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine);(2S,6S)-1,2,6-trimethyl-4-propan-2-ylpiperazine;(2R,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine
CID 159381971

Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-1-yl)piperidine;N,N-dimethylpiperidin-3-amine;1-piperidin-3-ylpiperidine;4-pyrrolidin-3-ylmorpholine;1-pyrrolidin-3-ylpiperidine;3-pyrrolidin-1-ylpiperidine?
The IUPAC name of 3-(azetidin-1-yl)piperidine;N,N-dimethylpiperidin-3-amine;1-piperidin-3-ylpiperidine;4-pyrrolidin-3-ylmorpholine;1-pyrrolidin-3-ylpiperidine;3-pyrrolidin-1-ylpiperidine (CID 157063805) is 3-(azetidin-1-yl)piperidine;N,N-dimethylpiperidin-3-amine;1-piperidin-3-ylpiperidine;4-pyrrolidin-3-ylmorpholine;1-pyrrolidin-3-ylpiperidine;3-pyrrolidin-1-ylpiperidine.
What is the SMILES notation for 3-(azetidin-1-yl)piperidine;N,N-dimethylpiperidin-3-amine;1-piperidin-3-ylpiperidine;4-pyrrolidin-3-ylmorpholine;1-pyrrolidin-3-ylpiperidine;3-pyrrolidin-1-ylpiperidine?
The canonical SMILES for 3-(azetidin-1-yl)piperidine;N,N-dimethylpiperidin-3-amine;1-piperidin-3-ylpiperidine;4-pyrrolidin-3-ylmorpholine;1-pyrrolidin-3-ylpiperidine;3-pyrrolidin-1-ylpiperidine is C1CC(N2CCOCC2)CN1.C1CCN(C2CCCNC2)CC1.C1CCN(C2CCNC2)CC1.C1CNCC(N2CCC2)C1.C1CNCC(N2CCCC2)C1.CN(C)C1CCCNC1.
What is the InChIKey of 3-(azetidin-1-yl)piperidine;N,N-dimethylpiperidin-3-amine;1-piperidin-3-ylpiperidine;4-pyrrolidin-3-ylmorpholine;1-pyrrolidin-3-ylpiperidine;3-pyrrolidin-1-ylpiperidine?
The InChIKey is ABQFBSRODYTVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2.2C9H18N2.C8H16N2O.C8H16N2.C7H16N2/c1-2-7-12(8-3-1)10-5-4-6-11-9-10;1-2-7-11(6-1)9-4-3-5-10-8-9;1-2-6-11(7-3-1)9-4-5-10-8-9;1-2-9-7-8(1)10-3-5-11-6-4-10;1-3-8(7-9-4-1)10-5-2-6-10;1-9(2)7-4-3-5-8-6-7/h10-11H,1-9H2;2*9-10H,1-8H2;8-9H,1-7H2;8-9H,1-7H2;7-8H,3-6H2,1-2H3.
What are the key properties of 3-(azetidin-1-yl)piperidine;N,N-dimethylpiperidin-3-amine;1-piperidin-3-ylpiperidine;4-pyrrolidin-3-ylmorpholine;1-pyrrolidin-3-ylpiperidine;3-pyrrolidin-1-ylpiperidine?
3-(azetidin-1-yl)piperidine;N,N-dimethylpiperidin-3-amine;1-piperidin-3-ylpiperidine;4-pyrrolidin-3-ylmorpholine;1-pyrrolidin-3-ylpiperidine;3-pyrrolidin-1-ylpiperidine has a molecular weight of 901.48 g/mol, XLogP of 3.32, 6 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-1-yl)piperidine;N,N-dimethylpiperidin-3-amine;1-piperidin-3-ylpiperidine;4-pyrrolidin-3-ylmorpholine;1-pyrrolidin-3-ylpiperidine;3-pyrrolidin-1-ylpiperidine is sourced from PubChem (CID 157063805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).