(3-aminopiperidin-1-yl)-(4-phenylphenyl)methanone;hydrochloride

C18H21ClN2O — CID 119381362

IUPAC(3-aminopiperidin-1-yl)-(4-phenylphenyl)methanone;hydrochloride
SMILESCl.NC1CCCN(C(=O)c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C18H20N2O.ClH/c19-17-7-4-12-20(13-17)18(21)16-10-8-15(9-11-16)14-5-2-1-3-6-14;/h1-3,5-6,8-11,17H,4,7,12-13,19H2;1H
InChIKeyIXFIDDIQZVABLX-UHFFFAOYSA-N
MW316.83 g/mol
LogP3.34
Rot. Bonds2

About (3-aminopiperidin-1-yl)-(4-phenylphenyl)methanone;hydrochloride

(3-aminopiperidin-1-yl)-(4-phenylphenyl)methanone;hydrochloride (PubChem CID 119381362) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-(4-phenylphenyl)methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-(4-phenylphenyl)methanone;hydrochloride
PubChem CID119381362
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC Name(3-aminopiperidin-1-yl)-(4-phenylphenyl)methanone;hydrochloride
SMILESCl.NC1CCCN(C(=O)c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C18H20N2O.ClH/c19-17-7-4-12-20(13-17)18(21)16-10-8-15(9-11-16)14-5-2-1-3-6-14;/h1-3,5-6,8-11,17H,4,7,12-13,19H2;1H
InChIKeyIXFIDDIQZVABLX-UHFFFAOYSA-N
XLogP3.34
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-aminopiperidin-1-yl)-(4-phenoxyphenyl)methanone
CID 119377677
(3-aminopiperidin-1-yl)-(4-tert-butylphenyl)methanone;hydrochloride
CID 75526663
[3-(aminomethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 119486906
2-(3-aminopiperidine-1-carbonyl)benzoic acid
CID 61403703
[3-(4-aminooxan-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
CID 167817879
[(3R)-3-aminopiperidin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 102983493
[(3S)-3-aminopyrrolidin-1-yl]-[4-(4-chlorophenyl)phenyl]methanone
CID 175436371
(3-aminopiperidin-1-yl)-(3,4-dimethylphenyl)methanone;hydrochloride
CID 119381443
4-(3-aminopiperidine-1-carbonyl)-N,N-diethylbenzamide;hydrochloride
CID 119380611
[3-(methylaminomethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone;hydrochloride
CID 119542048
(3-aminopiperidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride
CID 119380259
(3-aminopiperidin-1-yl)-(3-bromophenyl)methanone;hydrochloride
CID 119377080

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-(4-phenylphenyl)methanone;hydrochloride?
The IUPAC name of (3-aminopiperidin-1-yl)-(4-phenylphenyl)methanone;hydrochloride (CID 119381362) is (3-aminopiperidin-1-yl)-(4-phenylphenyl)methanone;hydrochloride.
What is the SMILES notation for (3-aminopiperidin-1-yl)-(4-phenylphenyl)methanone;hydrochloride?
The canonical SMILES for (3-aminopiperidin-1-yl)-(4-phenylphenyl)methanone;hydrochloride is Cl.NC1CCCN(C(=O)c2ccc(-c3ccccc3)cc2)C1.
What is the InChIKey of (3-aminopiperidin-1-yl)-(4-phenylphenyl)methanone;hydrochloride?
The InChIKey is IXFIDDIQZVABLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O.ClH/c19-17-7-4-12-20(13-17)18(21)16-10-8-15(9-11-16)14-5-2-1-3-6-14;/h1-3,5-6,8-11,17H,4,7,12-13,19H2;1H.
What are the key properties of (3-aminopiperidin-1-yl)-(4-phenylphenyl)methanone;hydrochloride?
(3-aminopiperidin-1-yl)-(4-phenylphenyl)methanone;hydrochloride has a molecular weight of 316.83 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-(4-phenylphenyl)methanone;hydrochloride is sourced from PubChem (CID 119381362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).