2-(aminomethyl)-N-[[4-(hydroxymethyl)phenyl]methyl]piperidine-1-carboxamide

C15H23N3O2 — CID 131944572

IUPAC2-(aminomethyl)-N-[[4-(hydroxymethyl)phenyl]methyl]piperidine-1-carboxamide
SMILESNCC1CCCCN1C(=O)NCc1ccc(CO)cc1
InChIInChI=1S/C15H23N3O2/c16-9-14-3-1-2-8-18(14)15(20)17-10-12-4-6-13(11-19)7-5-12/h4-7,14,19H,1-3,8-11,16H2,(H,17,20)
InChIKeyLGZSGMLBXSJJDZ-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.20
Rot. Bonds4

About 2-(aminomethyl)-N-[[4-(hydroxymethyl)phenyl]methyl]piperidine-1-carboxamide

2-(aminomethyl)-N-[[4-(hydroxymethyl)phenyl]methyl]piperidine-1-carboxamide (PubChem CID 131944572) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[[4-(hydroxymethyl)phenyl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[[4-(hydroxymethyl)phenyl]methyl]piperidine-1-carboxamide
PubChem CID131944572
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-(aminomethyl)-N-[[4-(hydroxymethyl)phenyl]methyl]piperidine-1-carboxamide
SMILESNCC1CCCCN1C(=O)NCc1ccc(CO)cc1
InChIInChI=1S/C15H23N3O2/c16-9-14-3-1-2-8-18(14)15(20)17-10-12-4-6-13(11-19)7-5-12/h4-7,14,19H,1-3,8-11,16H2,(H,17,20)
InChIKeyLGZSGMLBXSJJDZ-UHFFFAOYSA-N
XLogP1.20
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methylphenyl)methyl]-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide
CID 56914375
(2R)-N-[(4-methylphenyl)methyl]-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide
CID 95728102
(2S)-2-(hydroxymethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 111427679
2-(3-aminopropyl)-N-benzylpyrrolidine-1-carboxamide
CID 107654539
2-[1-(pyridin-4-ylmethylcarbamoyl)piperidin-2-yl]acetic acid
CID 61196830
(2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 110909640
4-[[[2-(2-methylpropyl)pyrrolidine-1-carbonyl]amino]methyl]benzoic acid
CID 122019638
N-benzyl-2-(2-hydroxypropyl)pyrrolidine-1-carboxamide
CID 103837231
2-[1-[(4-ethylphenyl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 106900464
N-[[4-[2-(aminomethyl)piperidine-1-carbonyl]phenyl]methyl]thiophene-2-carboxamide
CID 119468196
2-(aminomethyl)-N-cyclopropylpiperidine-1-carboxamide
CID 62699493
N-[(4-bromophenyl)methyl]-2-methylpiperidine-1-carboxamide
CID 108899463

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[[4-(hydroxymethyl)phenyl]methyl]piperidine-1-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[[4-(hydroxymethyl)phenyl]methyl]piperidine-1-carboxamide (CID 131944572) is 2-(aminomethyl)-N-[[4-(hydroxymethyl)phenyl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[[4-(hydroxymethyl)phenyl]methyl]piperidine-1-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[[4-(hydroxymethyl)phenyl]methyl]piperidine-1-carboxamide is NCC1CCCCN1C(=O)NCc1ccc(CO)cc1.
What is the InChIKey of 2-(aminomethyl)-N-[[4-(hydroxymethyl)phenyl]methyl]piperidine-1-carboxamide?
The InChIKey is LGZSGMLBXSJJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c16-9-14-3-1-2-8-18(14)15(20)17-10-12-4-6-13(11-19)7-5-12/h4-7,14,19H,1-3,8-11,16H2,(H,17,20).
What are the key properties of 2-(aminomethyl)-N-[[4-(hydroxymethyl)phenyl]methyl]piperidine-1-carboxamide?
2-(aminomethyl)-N-[[4-(hydroxymethyl)phenyl]methyl]piperidine-1-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 1.20, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[[4-(hydroxymethyl)phenyl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 131944572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).