(3-aminophenyl)-(3,3-dimethylpiperidin-1-yl)methanone;hydrochloride

C14H21ClN2O — CID 119734697

IUPAC(3-aminophenyl)-(3,3-dimethylpiperidin-1-yl)methanone;hydrochloride
SMILESCC1(C)CCCN(C(=O)c2cccc(N)c2)C1.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-14(2)7-4-8-16(10-14)13(17)11-5-3-6-12(15)9-11;/h3,5-6,9H,4,7-8,10,15H2,1-2H3;1H
InChIKeyJYZUHJUKGLBANH-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.95
Rot. Bonds1

About (3-aminophenyl)-(3,3-dimethylpiperidin-1-yl)methanone;hydrochloride

(3-aminophenyl)-(3,3-dimethylpiperidin-1-yl)methanone;hydrochloride (PubChem CID 119734697) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is (3-aminophenyl)-(3,3-dimethylpiperidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminophenyl)-(3,3-dimethylpiperidin-1-yl)methanone;hydrochloride
PubChem CID119734697
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name(3-aminophenyl)-(3,3-dimethylpiperidin-1-yl)methanone;hydrochloride
SMILESCC1(C)CCCN(C(=O)c2cccc(N)c2)C1.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-14(2)7-4-8-16(10-14)13(17)11-5-3-6-12(15)9-11;/h3,5-6,9H,4,7-8,10,15H2,1-2H3;1H
InChIKeyJYZUHJUKGLBANH-UHFFFAOYSA-N
XLogP2.95
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 119803719
(3-aminophenyl)-(azocan-1-yl)methanone;hydrochloride
CID 119676424
(3-aminophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81095901
(4-amino-3-methoxyphenyl)-(3,3-dimethylpiperidin-1-yl)methanone
CID 104782959
3-[3-(3,3-dimethylpiperidine-1-carbonyl)phenyl]prop-2-enoic acid
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(3-aminophenyl)-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 19842351
(3-aminophenyl)-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]methanone;hydrochloride
CID 119747861
(3-aminophenyl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone;hydrochloride
CID 119813649
(3,3-dimethylpyrrolidin-1-yl)-(3-iodophenyl)methanone
CID 79036864
1-[4-(3-aminobenzoyl)piperazin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 119686678
(3,3-dimethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone
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CID 115875011

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)-(3,3-dimethylpiperidin-1-yl)methanone;hydrochloride?
The IUPAC name of (3-aminophenyl)-(3,3-dimethylpiperidin-1-yl)methanone;hydrochloride (CID 119734697) is (3-aminophenyl)-(3,3-dimethylpiperidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for (3-aminophenyl)-(3,3-dimethylpiperidin-1-yl)methanone;hydrochloride?
The canonical SMILES for (3-aminophenyl)-(3,3-dimethylpiperidin-1-yl)methanone;hydrochloride is CC1(C)CCCN(C(=O)c2cccc(N)c2)C1.Cl.
What is the InChIKey of (3-aminophenyl)-(3,3-dimethylpiperidin-1-yl)methanone;hydrochloride?
The InChIKey is JYZUHJUKGLBANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O.ClH/c1-14(2)7-4-8-16(10-14)13(17)11-5-3-6-12(15)9-11;/h3,5-6,9H,4,7-8,10,15H2,1-2H3;1H.
What are the key properties of (3-aminophenyl)-(3,3-dimethylpiperidin-1-yl)methanone;hydrochloride?
(3-aminophenyl)-(3,3-dimethylpiperidin-1-yl)methanone;hydrochloride has a molecular weight of 268.79 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)-(3,3-dimethylpiperidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119734697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).