[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(2-benzylphenyl)methanone

C21H26N2O — CID 125135374

IUPAC[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(2-benzylphenyl)methanone
SMILESC[C@@H](N)[C@@H]1CCCN(C(=O)c2ccccc2Cc2ccccc2)C1
InChIInChI=1S/C21H26N2O/c1-16(22)19-11-7-13-23(15-19)21(24)20-12-6-5-10-18(20)14-17-8-3-2-4-9-17/h2-6,8-10,12,16,19H,7,11,13-15,22H2,1H3/t16-,19-/m1/s1
InChIKeyKIRVNTZQTGCRDV-VQIMIIECSA-N
MW322.45 g/mol
LogP3.48
Rot. Bonds4

About [(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(2-benzylphenyl)methanone

[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(2-benzylphenyl)methanone (PubChem CID 125135374) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is [(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(2-benzylphenyl)methanone.

Molecular Properties

Compound Name[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(2-benzylphenyl)methanone
PubChem CID125135374
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(2-benzylphenyl)methanone
SMILESC[C@@H](N)[C@@H]1CCCN(C(=O)c2ccccc2Cc2ccccc2)C1
InChIInChI=1S/C21H26N2O/c1-16(22)19-11-7-13-23(15-19)21(24)20-12-6-5-10-18(20)14-17-8-3-2-4-9-17/h2-6,8-10,12,16,19H,7,11,13-15,22H2,1H3/t16-,19-/m1/s1
InChIKeyKIRVNTZQTGCRDV-VQIMIIECSA-N
XLogP3.48
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]-phenylmethanone;hydrochloride
CID 119592633
1-(2-benzylbenzoyl)piperidine-3-carboxylic acid
CID 45429245
(2-benzylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110878417
[3-(1-aminoethyl)piperidin-1-yl]-(1-benzyl-2,5-dimethylpyrrol-3-yl)methanone
CID 119594525
[3-(1-aminoethyl)piperidin-1-yl]-(2-benzyl-1,3-thiazol-4-yl)methanone
CID 119593496
[3-(1-aminoethyl)piperidin-1-yl]-(2-propan-2-ylsulfanylphenyl)methanone;hydrochloride
CID 119595456
[3-(1-aminoethyl)piperidin-1-yl]-(1-benzyl-5-methylpyrazol-4-yl)methanone
CID 119596149
[3-(1-aminoethyl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
CID 82830655
[3-(1-aminoethyl)piperidin-1-yl]-[2-[(2-chlorophenyl)methoxy]phenyl]methanone
CID 119595906
azocan-1-yl-(2-benzylphenyl)methanone
CID 112793165
N-[2-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]benzamide
CID 119595079
N-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-2-phenylacetamide;hydrochloride
CID 119593240

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(2-benzylphenyl)methanone?
The IUPAC name of [(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(2-benzylphenyl)methanone (CID 125135374) is [(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(2-benzylphenyl)methanone.
What is the SMILES notation for [(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(2-benzylphenyl)methanone?
The canonical SMILES for [(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(2-benzylphenyl)methanone is C[C@@H](N)[C@@H]1CCCN(C(=O)c2ccccc2Cc2ccccc2)C1.
What is the InChIKey of [(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(2-benzylphenyl)methanone?
The InChIKey is KIRVNTZQTGCRDV-VQIMIIECSA-N. The full InChI is InChI=1S/C21H26N2O/c1-16(22)19-11-7-13-23(15-19)21(24)20-12-6-5-10-18(20)14-17-8-3-2-4-9-17/h2-6,8-10,12,16,19H,7,11,13-15,22H2,1H3/t16-,19-/m1/s1.
What are the key properties of [(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(2-benzylphenyl)methanone?
[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(2-benzylphenyl)methanone has a molecular weight of 322.45 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(2-benzylphenyl)methanone is sourced from PubChem (CID 125135374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).