(4-amino-3,3-dimethylpiperidin-1-yl)-phenylmethanone;hydrochloride

C14H21ClN2O — CID 120815405

IUPAC(4-amino-3,3-dimethylpiperidin-1-yl)-phenylmethanone;hydrochloride
SMILESCC1(C)CN(C(=O)c2ccccc2)CCC1N.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-14(2)10-16(9-8-12(14)15)13(17)11-6-4-3-5-7-11;/h3-7,12H,8-10,15H2,1-2H3;1H
InChIKeyCGGKBPXFGBJKQW-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.31
Rot. Bonds1

About (4-amino-3,3-dimethylpiperidin-1-yl)-phenylmethanone;hydrochloride

(4-amino-3,3-dimethylpiperidin-1-yl)-phenylmethanone;hydrochloride (PubChem CID 120815405) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is (4-amino-3,3-dimethylpiperidin-1-yl)-phenylmethanone;hydrochloride.

Molecular Properties

Compound Name(4-amino-3,3-dimethylpiperidin-1-yl)-phenylmethanone;hydrochloride
PubChem CID120815405
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name(4-amino-3,3-dimethylpiperidin-1-yl)-phenylmethanone;hydrochloride
SMILESCC1(C)CN(C(=O)c2ccccc2)CCC1N.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-14(2)10-16(9-8-12(14)15)13(17)11-6-4-3-5-7-11;/h3-7,12H,8-10,15H2,1-2H3;1H
InChIKeyCGGKBPXFGBJKQW-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4-amino-3,3-dimethylpiperidin-1-yl)-phenylmethanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]ethanone;hydrochloride
CID 120817656
[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-3-methylpiperidin-1-yl]-phenylmethanone
CID 120819831
1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]ethanone
CID 120817657
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)benzamide
CID 120815235
(4-amino-3,3-dimethylpiperidin-1-yl)-(3-iodophenyl)methanone;hydrochloride
CID 120819588
(4-amino-3,3-dimethylpiperidin-1-yl)-[4-(phenylsulfanylmethyl)phenyl]methanone
CID 120815271
(4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dimethylphenyl)methanone;hydrochloride
CID 120814617
(4-amino-3,3-dimethylpiperidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone;hydrochloride
CID 120820264
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-phenyl-3-pyridinyl)methanone
CID 120818980
(4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dichlorophenyl)methanone;hydrochloride
CID 120816240
1-(4-amino-3,3-dimethylpiperidin-1-yl)-4-phenylbutane-1,4-dione
CID 120816946
(4-amino-3,3-dimethylpiperidin-1-yl)-(3,4-difluorophenyl)methanone;hydrochloride
CID 120814455

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-phenylmethanone;hydrochloride?
The IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-phenylmethanone;hydrochloride (CID 120815405) is (4-amino-3,3-dimethylpiperidin-1-yl)-phenylmethanone;hydrochloride.
What is the SMILES notation for (4-amino-3,3-dimethylpiperidin-1-yl)-phenylmethanone;hydrochloride?
The canonical SMILES for (4-amino-3,3-dimethylpiperidin-1-yl)-phenylmethanone;hydrochloride is CC1(C)CN(C(=O)c2ccccc2)CCC1N.Cl.
What is the InChIKey of (4-amino-3,3-dimethylpiperidin-1-yl)-phenylmethanone;hydrochloride?
The InChIKey is CGGKBPXFGBJKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O.ClH/c1-14(2)10-16(9-8-12(14)15)13(17)11-6-4-3-5-7-11;/h3-7,12H,8-10,15H2,1-2H3;1H.
What are the key properties of (4-amino-3,3-dimethylpiperidin-1-yl)-phenylmethanone;hydrochloride?
(4-amino-3,3-dimethylpiperidin-1-yl)-phenylmethanone;hydrochloride has a molecular weight of 268.79 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,3-dimethylpiperidin-1-yl)-phenylmethanone;hydrochloride is sourced from PubChem (CID 120815405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).