(4-aminopiperidin-1-yl)-(4-cyclohexylphenyl)methanone;hydrochloride

C18H27ClN2O — CID 119372876

IUPAC(4-aminopiperidin-1-yl)-(4-cyclohexylphenyl)methanone;hydrochloride
SMILESCl.NC1CCN(C(=O)c2ccc(C3CCCCC3)cc2)CC1
InChIInChI=1S/C18H26N2O.ClH/c19-17-10-12-20(13-11-17)18(21)16-8-6-15(7-9-16)14-4-2-1-3-5-14;/h6-9,14,17H,1-5,10-13,19H2;1H
InChIKeyNYVYRVUSTWUTLE-UHFFFAOYSA-N
MW322.88 g/mol
LogP3.72
Rot. Bonds2

About (4-aminopiperidin-1-yl)-(4-cyclohexylphenyl)methanone;hydrochloride

(4-aminopiperidin-1-yl)-(4-cyclohexylphenyl)methanone;hydrochloride (PubChem CID 119372876) has the molecular formula C18H27ClN2O and a molecular weight of 322.88 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-(4-cyclohexylphenyl)methanone;hydrochloride.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-(4-cyclohexylphenyl)methanone;hydrochloride
PubChem CID119372876
Molecular FormulaC18H27ClN2O
Molecular Weight322.88 g/mol
Exact Mass322.18
IUPAC Name(4-aminopiperidin-1-yl)-(4-cyclohexylphenyl)methanone;hydrochloride
SMILESCl.NC1CCN(C(=O)c2ccc(C3CCCCC3)cc2)CC1
InChIInChI=1S/C18H26N2O.ClH/c19-17-10-12-20(13-11-17)18(21)16-8-6-15(7-9-16)14-4-2-1-3-5-14;/h6-9,14,17H,1-5,10-13,19H2;1H
InChIKeyNYVYRVUSTWUTLE-UHFFFAOYSA-N
XLogP3.72
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.88
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-cyclohexylphenyl)-pyrrolidin-1-ylmethanone
CID 78791688
1-[4-(4-cyclohexylbenzoyl)piperazin-1-yl]ethanone
CID 110761379
4-(4-aminopiperidine-1-carbonyl)benzoic acid;hydrochloride
CID 178200611
(4-cyclohexylphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 86877330
(4-aminopiperidin-1-yl)-(4-iodophenyl)methanone
CID 43556171
(4-aminopiperidin-1-yl)-[4-(cyclohexylmethoxy)phenyl]methanone
CID 119376325
N-[[4-(4-aminopiperidine-1-carbonyl)phenyl]methyl]cyclopentanecarboxamide;hydrochloride
CID 119375294
[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-(4-cyclohexylphenyl)methanone
CID 166483062
N-tert-butyl-4-(4-cyclohexylbenzoyl)piperazine-1-carboxamide
CID 110812367
(4-aminopiperidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 18071748
(4-cyclohexylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119487583
4-cyclohexyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 24656637

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-(4-cyclohexylphenyl)methanone;hydrochloride?
The IUPAC name of (4-aminopiperidin-1-yl)-(4-cyclohexylphenyl)methanone;hydrochloride (CID 119372876) is (4-aminopiperidin-1-yl)-(4-cyclohexylphenyl)methanone;hydrochloride.
What is the SMILES notation for (4-aminopiperidin-1-yl)-(4-cyclohexylphenyl)methanone;hydrochloride?
The canonical SMILES for (4-aminopiperidin-1-yl)-(4-cyclohexylphenyl)methanone;hydrochloride is Cl.NC1CCN(C(=O)c2ccc(C3CCCCC3)cc2)CC1.
What is the InChIKey of (4-aminopiperidin-1-yl)-(4-cyclohexylphenyl)methanone;hydrochloride?
The InChIKey is NYVYRVUSTWUTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O.ClH/c19-17-10-12-20(13-11-17)18(21)16-8-6-15(7-9-16)14-4-2-1-3-5-14;/h6-9,14,17H,1-5,10-13,19H2;1H.
What are the key properties of (4-aminopiperidin-1-yl)-(4-cyclohexylphenyl)methanone;hydrochloride?
(4-aminopiperidin-1-yl)-(4-cyclohexylphenyl)methanone;hydrochloride has a molecular weight of 322.88 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-(4-cyclohexylphenyl)methanone;hydrochloride is sourced from PubChem (CID 119372876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).