1-benzyl-N-methyl-N-(piperidin-3-ylmethyl)pyrrolidin-3-amine

C18H29N3 — CID 104870055

IUPAC1-benzyl-N-methyl-N-(piperidin-3-ylmethyl)pyrrolidin-3-amine
SMILESCN(CC1CCCNC1)C1CCN(Cc2ccccc2)C1
InChIInChI=1S/C18H29N3/c1-20(13-17-8-5-10-19-12-17)18-9-11-21(15-18)14-16-6-3-2-4-7-16/h2-4,6-7,17-19H,5,8-15H2,1H3
InChIKeyAGXLLQHNNQSFJH-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.19
Rot. Bonds5

About 1-benzyl-N-methyl-N-(piperidin-3-ylmethyl)pyrrolidin-3-amine

1-benzyl-N-methyl-N-(piperidin-3-ylmethyl)pyrrolidin-3-amine (PubChem CID 104870055) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-benzyl-N-methyl-N-(piperidin-3-ylmethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-benzyl-N-methyl-N-(piperidin-3-ylmethyl)pyrrolidin-3-amine
PubChem CID104870055
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name1-benzyl-N-methyl-N-(piperidin-3-ylmethyl)pyrrolidin-3-amine
SMILESCN(CC1CCCNC1)C1CCN(Cc2ccccc2)C1
InChIInChI=1S/C18H29N3/c1-20(13-17-8-5-10-19-12-17)18-9-11-21(15-18)14-16-6-3-2-4-7-16/h2-4,6-7,17-19H,5,8-15H2,1H3
InChIKeyAGXLLQHNNQSFJH-UHFFFAOYSA-N
XLogP2.19
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzylpiperidin-3-yl)-N-methylpiperidine-3-carboxamide;dihydrochloride
CID 119857542
N-(azetidin-3-yl)-1-benzyl-N-methylpiperidin-3-amine
CID 66187288
2-[[(3R)-1-benzylpyrrolidin-3-yl]-methylamino]ethanol
CID 66565025
(3S)-1-benzyl-N-methyl-N-[[3-(2-methyl-4-pyrrolidin-1-ylphenyl)cyclobutyl]methyl]pyrrolidin-3-amine
CID 91018036
N-benzyl-N-[[(3R)-piperidin-3-yl]methyl]cyclopropanamine
CID 96555707
N-methyl-1-phenyl-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106623701
[(6S)-1-benzyl-1,4-diazepan-6-yl]methanol
CID 86314075
(3R)-1-benzyl-N-methyl-N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine
CID 129335856
(3S)-1-benzyl-3-(1H-imidazol-2-ylmethyl)piperidine;(3S)-3-(1H-imidazol-2-ylmethyl)piperidine
CID 158336197
N-methyl-2-phenyl-N-(piperidin-3-ylmethyl)propan-1-amine;hydrochloride
CID 119931376
3-[(1-benzylpyrrolidin-2-yl)methyl]piperidine
CID 82623664
N-benzyl-N-[[(3S)-piperidin-3-yl]methyl]propan-1-amine
CID 129381793

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-methyl-N-(piperidin-3-ylmethyl)pyrrolidin-3-amine?
The IUPAC name of 1-benzyl-N-methyl-N-(piperidin-3-ylmethyl)pyrrolidin-3-amine (CID 104870055) is 1-benzyl-N-methyl-N-(piperidin-3-ylmethyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-benzyl-N-methyl-N-(piperidin-3-ylmethyl)pyrrolidin-3-amine?
The canonical SMILES for 1-benzyl-N-methyl-N-(piperidin-3-ylmethyl)pyrrolidin-3-amine is CN(CC1CCCNC1)C1CCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-N-methyl-N-(piperidin-3-ylmethyl)pyrrolidin-3-amine?
The InChIKey is AGXLLQHNNQSFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-20(13-17-8-5-10-19-12-17)18-9-11-21(15-18)14-16-6-3-2-4-7-16/h2-4,6-7,17-19H,5,8-15H2,1H3.
What are the key properties of 1-benzyl-N-methyl-N-(piperidin-3-ylmethyl)pyrrolidin-3-amine?
1-benzyl-N-methyl-N-(piperidin-3-ylmethyl)pyrrolidin-3-amine has a molecular weight of 287.45 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-methyl-N-(piperidin-3-ylmethyl)pyrrolidin-3-amine is sourced from PubChem (CID 104870055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).