[1-(1-benzylpiperidin-4-yl)pyrrolidin-3-yl]methanamine

C17H27N3 — CID 24703138

IUPAC[1-(1-benzylpiperidin-4-yl)pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(C2CCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C17H27N3/c18-12-16-6-11-20(14-16)17-7-9-19(10-8-17)13-15-4-2-1-3-5-15/h1-5,16-17H,6-14,18H2
InChIKeyPQBPACIZCSITDA-UHFFFAOYSA-N
MW273.42 g/mol
LogP1.93
Rot. Bonds4

About [1-(1-benzylpiperidin-4-yl)pyrrolidin-3-yl]methanamine

[1-(1-benzylpiperidin-4-yl)pyrrolidin-3-yl]methanamine (PubChem CID 24703138) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is [1-(1-benzylpiperidin-4-yl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(1-benzylpiperidin-4-yl)pyrrolidin-3-yl]methanamine
PubChem CID24703138
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name[1-(1-benzylpiperidin-4-yl)pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(C2CCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C17H27N3/c18-12-16-6-11-20(14-16)17-7-9-19(10-8-17)13-15-4-2-1-3-5-15/h1-5,16-17H,6-14,18H2
InChIKeyPQBPACIZCSITDA-UHFFFAOYSA-N
XLogP1.93
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-1-(1-benzylpiperidin-4-yl)piperidin-3-yl]methanamine
CID 27440328
1-(1-benzylpyrrolidin-3-yl)piperidin-3-amine
CID 61296822
1-(1-benzylpiperidin-4-yl)piperidin-4-ol
CID 67272846
1-(1-benzylpiperidin-4-yl)azocane
CID 2846402
(1-benzylpiperidin-4-yl)methanethiol
CID 88901626
(1-benzylazepan-3-yl)methanamine
CID 15718476
1-benzyl-4-(3-methylpiperidin-1-yl)piperidine
CID 2846252
2-(1-benzylpiperidin-4-yl)ethanamine;dihydrochloride
CID 17221509
1-(1-benzylpiperidin-4-yl)-3,6-dihydro-2H-pyridine
CID 141068569
1-(1-benzylpyrrolidin-3-yl)-5-methylpiperidin-3-amine
CID 79986204
1-benzyl-4-cyclopropylpiperazine
CID 69195043
(3S,5R)-1-(1-benzylpiperidin-4-yl)-3,5-dimethylpiperazine
CID 130914689

Frequently Asked Questions

What is the IUPAC name of [1-(1-benzylpiperidin-4-yl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(1-benzylpiperidin-4-yl)pyrrolidin-3-yl]methanamine (CID 24703138) is [1-(1-benzylpiperidin-4-yl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(1-benzylpiperidin-4-yl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(1-benzylpiperidin-4-yl)pyrrolidin-3-yl]methanamine is NCC1CCN(C2CCN(Cc3ccccc3)CC2)C1.
What is the InChIKey of [1-(1-benzylpiperidin-4-yl)pyrrolidin-3-yl]methanamine?
The InChIKey is PQBPACIZCSITDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c18-12-16-6-11-20(14-16)17-7-9-19(10-8-17)13-15-4-2-1-3-5-15/h1-5,16-17H,6-14,18H2.
What are the key properties of [1-(1-benzylpiperidin-4-yl)pyrrolidin-3-yl]methanamine?
[1-(1-benzylpiperidin-4-yl)pyrrolidin-3-yl]methanamine has a molecular weight of 273.42 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-benzylpiperidin-4-yl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 24703138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).