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

C19H28N2O — CID 119467931

IUPAC[2-(aminomethyl)piperidin-1-yl]-(4-phenylcyclohexyl)methanone
SMILESNCC1CCCCN1C(=O)C1CCC(c2ccccc2)CC1
InChIInChI=1S/C19H28N2O/c20-14-18-8-4-5-13-21(18)19(22)17-11-9-16(10-12-17)15-6-2-1-3-7-15/h1-3,6-7,16-18H,4-5,8-14,20H2
InChIKeyHOGFSXYFMYMOMH-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.30
Rot. Bonds3

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

[2-(aminomethyl)piperidin-1-yl]-(4-phenylcyclohexyl)methanone (PubChem CID 119467931) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is [2-(aminomethyl)piperidin-1-yl]-(4-phenylcyclohexyl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)piperidin-1-yl]-(4-phenylcyclohexyl)methanone
PubChem CID119467931
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name[2-(aminomethyl)piperidin-1-yl]-(4-phenylcyclohexyl)methanone
SMILESNCC1CCCCN1C(=O)C1CCC(c2ccccc2)CC1
InChIInChI=1S/C19H28N2O/c20-14-18-8-4-5-13-21(18)19(22)17-11-9-16(10-12-17)15-6-2-1-3-7-15/h1-3,6-7,16-18H,4-5,8-14,20H2
InChIKeyHOGFSXYFMYMOMH-UHFFFAOYSA-N
XLogP3.30
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(aminomethyl)piperidin-1-yl]-(4-phenylcyclohexyl)methanone;hydrochloride
CID 119467930
[1-(4-phenylcyclohexanecarbonyl)piperidin-2-yl]methylurea
CID 102602951
[2-(aminomethyl)pyrrolidin-1-yl]-(2-phenylcyclopropyl)methanone
CID 81482768
[2-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119261191
[2-(aminomethyl)piperidin-1-yl]-cyclopent-3-en-1-ylmethanone
CID 64767287
3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 119632537
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-phenylmethanone
CID 28706917
(2R)-2-(aminomethyl)piperidine-1-carboxylic acid
CID 67494395
cyclohexyl-(2-phenylpiperidin-1-yl)methanone
CID 161290286
1-[3-[2-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-phenylethanone;hydrochloride
CID 119469695
[4-(aminomethyl)cyclohexyl]-(3-phenylpiperidin-1-yl)methanone
CID 46967384
[2-(aminomethyl)piperidin-1-yl]-(2-methylphenyl)methanone;hydrochloride
CID 119466148

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)piperidin-1-yl]-(4-phenylcyclohexyl)methanone?
The IUPAC name of [2-(aminomethyl)piperidin-1-yl]-(4-phenylcyclohexyl)methanone (CID 119467931) is [2-(aminomethyl)piperidin-1-yl]-(4-phenylcyclohexyl)methanone.
What is the SMILES notation for [2-(aminomethyl)piperidin-1-yl]-(4-phenylcyclohexyl)methanone?
The canonical SMILES for [2-(aminomethyl)piperidin-1-yl]-(4-phenylcyclohexyl)methanone is NCC1CCCCN1C(=O)C1CCC(c2ccccc2)CC1.
What is the InChIKey of [2-(aminomethyl)piperidin-1-yl]-(4-phenylcyclohexyl)methanone?
The InChIKey is HOGFSXYFMYMOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c20-14-18-8-4-5-13-21(18)19(22)17-11-9-16(10-12-17)15-6-2-1-3-7-15/h1-3,6-7,16-18H,4-5,8-14,20H2.
What are the key properties of [2-(aminomethyl)piperidin-1-yl]-(4-phenylcyclohexyl)methanone?
[2-(aminomethyl)piperidin-1-yl]-(4-phenylcyclohexyl)methanone has a molecular weight of 300.45 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)piperidin-1-yl]-(4-phenylcyclohexyl)methanone is sourced from PubChem (CID 119467931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).