1-benzyl-2-piperidin-3-ylpiperidine

C17H26N2 — CID 82380311

IUPAC1-benzyl-2-piperidin-3-ylpiperidine
SMILESc1ccc(CN2CCCCC2C2CCCNC2)cc1
InChIInChI=1S/C17H26N2/c1-2-7-15(8-3-1)14-19-12-5-4-10-17(19)16-9-6-11-18-13-16/h1-3,7-8,16-18H,4-6,9-14H2
InChIKeyKZCKITJHBRAVGV-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.04
Rot. Bonds3

About 1-benzyl-2-piperidin-3-ylpiperidine

1-benzyl-2-piperidin-3-ylpiperidine (PubChem CID 82380311) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-benzyl-2-piperidin-3-ylpiperidine.

Molecular Properties

Compound Name1-benzyl-2-piperidin-3-ylpiperidine
PubChem CID82380311
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name1-benzyl-2-piperidin-3-ylpiperidine
SMILESc1ccc(CN2CCCCC2C2CCCNC2)cc1
InChIInChI=1S/C17H26N2/c1-2-7-15(8-3-1)14-19-12-5-4-10-17(19)16-9-6-11-18-13-16/h1-3,7-8,16-18H,4-6,9-14H2
InChIKeyKZCKITJHBRAVGV-UHFFFAOYSA-N
XLogP3.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(3-phenylpropyl)pyrrolidin-2-yl]piperidine
CID 66273007
4-(1-benzylpyrrolidin-2-yl)piperidine
CID 82385405
3-[1-(phenylmethoxymethyl)pyrrolidin-2-yl]piperidine
CID 102941022
(6aS)-1-benzyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
CID 155248085
(2R)-1-benzyl-2-[(2R)-pyrrolidin-2-yl]piperidine
CID 124710332
(1S,7R)-2-benzyl-2,8-diazabicyclo[5.5.0]dodecane
CID 178143612
1-benzyl-3,4,5,5a,6,8,9,9a-octahydro-2H-benzo[b]azepin-7-one
CID 83488594
(2S)-2-[(3R)-piperidin-3-yl]-1-propylpiperidine
CID 95241605
3-[(1-benzylpyrrolidin-2-yl)methyl]piperidine
CID 82623664
4-benzyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline;pyrrolidine
CID 144745554
1-benzyl-N-piperidin-3-ylpiperidine-2-carboxamide;dihydrochloride
CID 119427951
N-[(1-benzylpiperidin-2-yl)methyl]piperidine-3-carboxamide
CID 119861716

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-piperidin-3-ylpiperidine?
The IUPAC name of 1-benzyl-2-piperidin-3-ylpiperidine (CID 82380311) is 1-benzyl-2-piperidin-3-ylpiperidine.
What is the SMILES notation for 1-benzyl-2-piperidin-3-ylpiperidine?
The canonical SMILES for 1-benzyl-2-piperidin-3-ylpiperidine is c1ccc(CN2CCCCC2C2CCCNC2)cc1.
What is the InChIKey of 1-benzyl-2-piperidin-3-ylpiperidine?
The InChIKey is KZCKITJHBRAVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-2-7-15(8-3-1)14-19-12-5-4-10-17(19)16-9-6-11-18-13-16/h1-3,7-8,16-18H,4-6,9-14H2.
What are the key properties of 1-benzyl-2-piperidin-3-ylpiperidine?
1-benzyl-2-piperidin-3-ylpiperidine has a molecular weight of 258.41 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-piperidin-3-ylpiperidine is sourced from PubChem (CID 82380311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).