[2-(aminomethyl)piperidin-1-yl]-(4-aminophenyl)methanone

C13H19N3O — CID 122080310

IUPAC[2-(aminomethyl)piperidin-1-yl]-(4-aminophenyl)methanone
SMILESNCC1CCCCN1C(=O)c1ccc(N)cc1
InChIInChI=1S/C13H19N3O/c14-9-12-3-1-2-8-16(12)13(17)10-4-6-11(15)7-5-10/h4-7,12H,1-3,8-9,14-15H2
InChIKeyCKQIPUWGPCCNTH-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.22
Rot. Bonds2

About [2-(aminomethyl)piperidin-1-yl]-(4-aminophenyl)methanone

[2-(aminomethyl)piperidin-1-yl]-(4-aminophenyl)methanone (PubChem CID 122080310) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is [2-(aminomethyl)piperidin-1-yl]-(4-aminophenyl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)piperidin-1-yl]-(4-aminophenyl)methanone
PubChem CID122080310
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name[2-(aminomethyl)piperidin-1-yl]-(4-aminophenyl)methanone
SMILESNCC1CCCCN1C(=O)c1ccc(N)cc1
InChIInChI=1S/C13H19N3O/c14-9-12-3-1-2-8-16(12)13(17)10-4-6-11(15)7-5-10/h4-7,12H,1-3,8-9,14-15H2
InChIKeyCKQIPUWGPCCNTH-UHFFFAOYSA-N
XLogP1.22
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[2-(aminomethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 55210990
[2-(aminomethyl)pyrrolidin-1-yl]-(4-bromophenyl)methanone
CID 66861500
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-phenylmethanone
CID 28706917
[2-(aminomethyl)piperidin-1-yl]-pyridazin-4-ylmethanone
CID 104671337
[2-(aminomethyl)piperidin-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone;hydrochloride
CID 119468234
[2-(aminomethyl)azepan-1-yl]-[4-(difluoromethoxy)phenyl]methanone
CID 116639899
[(2S)-2-(aminomethyl)piperidin-1-yl]-[4-(2-chlorophenyl)phenyl]methanone
CID 126432406
N-[4-[2-(aminomethyl)piperidine-1-carbonyl]phenyl]-2-methylpropanamide
CID 119468615
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 28706941
(4-aminophenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 713107
[2-(aminomethyl)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 119467259
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)piperidin-1-yl]-(4-aminophenyl)methanone?
The IUPAC name of [2-(aminomethyl)piperidin-1-yl]-(4-aminophenyl)methanone (CID 122080310) is [2-(aminomethyl)piperidin-1-yl]-(4-aminophenyl)methanone.
What is the SMILES notation for [2-(aminomethyl)piperidin-1-yl]-(4-aminophenyl)methanone?
The canonical SMILES for [2-(aminomethyl)piperidin-1-yl]-(4-aminophenyl)methanone is NCC1CCCCN1C(=O)c1ccc(N)cc1.
What is the InChIKey of [2-(aminomethyl)piperidin-1-yl]-(4-aminophenyl)methanone?
The InChIKey is CKQIPUWGPCCNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c14-9-12-3-1-2-8-16(12)13(17)10-4-6-11(15)7-5-10/h4-7,12H,1-3,8-9,14-15H2.
What are the key properties of [2-(aminomethyl)piperidin-1-yl]-(4-aminophenyl)methanone?
[2-(aminomethyl)piperidin-1-yl]-(4-aminophenyl)methanone has a molecular weight of 233.31 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)piperidin-1-yl]-(4-aminophenyl)methanone is sourced from PubChem (CID 122080310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).