[4-(1-aminoethyl)piperidin-1-yl]-(1-benzylpiperidin-2-yl)methanone

C20H31N3O — CID 119519896

IUPAC[4-(1-aminoethyl)piperidin-1-yl]-(1-benzylpiperidin-2-yl)methanone
SMILESCC(N)C1CCN(C(=O)C2CCCCN2Cc2ccccc2)CC1
InChIInChI=1S/C20H31N3O/c1-16(21)18-10-13-22(14-11-18)20(24)19-9-5-6-12-23(19)15-17-7-3-2-4-8-17/h2-4,7-8,16,18-19H,5-6,9-15,21H2,1H3
InChIKeyLLRYATZAGVZIGY-UHFFFAOYSA-N
MW329.49 g/mol
LogP2.63
Rot. Bonds4

About [4-(1-aminoethyl)piperidin-1-yl]-(1-benzylpiperidin-2-yl)methanone

[4-(1-aminoethyl)piperidin-1-yl]-(1-benzylpiperidin-2-yl)methanone (PubChem CID 119519896) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is [4-(1-aminoethyl)piperidin-1-yl]-(1-benzylpiperidin-2-yl)methanone.

Molecular Properties

Compound Name[4-(1-aminoethyl)piperidin-1-yl]-(1-benzylpiperidin-2-yl)methanone
PubChem CID119519896
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC Name[4-(1-aminoethyl)piperidin-1-yl]-(1-benzylpiperidin-2-yl)methanone
SMILESCC(N)C1CCN(C(=O)C2CCCCN2Cc2ccccc2)CC1
InChIInChI=1S/C20H31N3O/c1-16(21)18-10-13-22(14-11-18)20(24)19-9-5-6-12-23(19)15-17-7-3-2-4-8-17/h2-4,7-8,16,18-19H,5-6,9-15,21H2,1H3
InChIKeyLLRYATZAGVZIGY-UHFFFAOYSA-N
XLogP2.63
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1-aminoethyl)piperidin-1-yl]-(1-benzylpiperidin-2-yl)methanone;dihydrochloride
CID 119519895
(1-benzylpiperidin-2-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110022869
[4-(1-aminoethyl)piperidin-1-yl]-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanone
CID 119518177
(1-benzylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone
CID 23282646
(1-benzylpyrrolidin-2-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 60578972
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[(2R)-1-benzylpiperidin-2-yl]methanone
CID 124781007
N-[1-(1-benzylpyrrolidine-2-carbonyl)piperidin-4-yl]acetamide
CID 49399454
(1-benzylpyrrolidin-2-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119546904
2-propan-2-yloxyethyl 1-benzylpiperidine-2-carboxylate
CID 75373371
[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanone
CID 124779272
(4-benzhydrylpiperazin-1-yl)-[(2S)-1-benzylpyrrolidin-2-yl]methanone
CID 10225228
methyl 1-benzylpiperidine-2-carboxylate
CID 10443988

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-(1-benzylpiperidin-2-yl)methanone?
The IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-(1-benzylpiperidin-2-yl)methanone (CID 119519896) is [4-(1-aminoethyl)piperidin-1-yl]-(1-benzylpiperidin-2-yl)methanone.
What is the SMILES notation for [4-(1-aminoethyl)piperidin-1-yl]-(1-benzylpiperidin-2-yl)methanone?
The canonical SMILES for [4-(1-aminoethyl)piperidin-1-yl]-(1-benzylpiperidin-2-yl)methanone is CC(N)C1CCN(C(=O)C2CCCCN2Cc2ccccc2)CC1.
What is the InChIKey of [4-(1-aminoethyl)piperidin-1-yl]-(1-benzylpiperidin-2-yl)methanone?
The InChIKey is LLRYATZAGVZIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c1-16(21)18-10-13-22(14-11-18)20(24)19-9-5-6-12-23(19)15-17-7-3-2-4-8-17/h2-4,7-8,16,18-19H,5-6,9-15,21H2,1H3.
What are the key properties of [4-(1-aminoethyl)piperidin-1-yl]-(1-benzylpiperidin-2-yl)methanone?
[4-(1-aminoethyl)piperidin-1-yl]-(1-benzylpiperidin-2-yl)methanone has a molecular weight of 329.49 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminoethyl)piperidin-1-yl]-(1-benzylpiperidin-2-yl)methanone is sourced from PubChem (CID 119519896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).