1-(1-benzylpyrrolidin-3-yl)piperidin-3-amine

C16H25N3 — CID 61296822

IUPAC1-(1-benzylpyrrolidin-3-yl)piperidin-3-amine
SMILESNC1CCCN(C2CCN(Cc3ccccc3)C2)C1
InChIInChI=1S/C16H25N3/c17-15-7-4-9-19(12-15)16-8-10-18(13-16)11-14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13,17H2
InChIKeyJYNSJLQJCQAAEN-UHFFFAOYSA-N
MW259.40 g/mol
LogP1.68
Rot. Bonds3

About 1-(1-benzylpyrrolidin-3-yl)piperidin-3-amine

1-(1-benzylpyrrolidin-3-yl)piperidin-3-amine (PubChem CID 61296822) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 1-(1-benzylpyrrolidin-3-yl)piperidin-3-amine.

Molecular Properties

Compound Name1-(1-benzylpyrrolidin-3-yl)piperidin-3-amine
PubChem CID61296822
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name1-(1-benzylpyrrolidin-3-yl)piperidin-3-amine
SMILESNC1CCCN(C2CCN(Cc3ccccc3)C2)C1
InChIInChI=1S/C16H25N3/c17-15-7-4-9-19(12-15)16-8-10-18(13-16)11-14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13,17H2
InChIKeyJYNSJLQJCQAAEN-UHFFFAOYSA-N
XLogP1.68
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 51.68
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
2-benzyl-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-8-amine
CID 82384775
1-(1-benzylpyrrolidin-3-yl)-5-methylpiperidin-3-amine
CID 79986204
[1-(1-benzylpiperidin-4-yl)pyrrolidin-3-yl]methanamine
CID 24703138
1-(1-benzylpyrrolidin-3-yl)-4-methylpyrrolidin-3-amine
CID 103575535
(9aR)-2-benzyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 86333935
1-benzyl-4-(3-methylpiperidin-1-yl)piperidine
CID 2846252
(3R)-1-[(4-phenylphenyl)methyl]piperidin-3-amine
CID 102977250
1-(1-benzylpiperidin-4-yl)azocane
CID 2846402
1-[(4-phenylphenyl)methyl]pyrrolidin-3-amine
CID 62068870
azocan-1-yl-[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]methanone
CID 45192001
4-amino-1-(1-benzylpiperidin-3-yl)pyrrolidin-2-one
CID 64590686

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpyrrolidin-3-yl)piperidin-3-amine?
The IUPAC name of 1-(1-benzylpyrrolidin-3-yl)piperidin-3-amine (CID 61296822) is 1-(1-benzylpyrrolidin-3-yl)piperidin-3-amine.
What is the SMILES notation for 1-(1-benzylpyrrolidin-3-yl)piperidin-3-amine?
The canonical SMILES for 1-(1-benzylpyrrolidin-3-yl)piperidin-3-amine is NC1CCCN(C2CCN(Cc3ccccc3)C2)C1.
What is the InChIKey of 1-(1-benzylpyrrolidin-3-yl)piperidin-3-amine?
The InChIKey is JYNSJLQJCQAAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c17-15-7-4-9-19(12-15)16-8-10-18(13-16)11-14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13,17H2.
What are the key properties of 1-(1-benzylpyrrolidin-3-yl)piperidin-3-amine?
1-(1-benzylpyrrolidin-3-yl)piperidin-3-amine has a molecular weight of 259.40 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpyrrolidin-3-yl)piperidin-3-amine is sourced from PubChem (CID 61296822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).