(4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dimethylphenyl)methanone;hydrochloride

C16H25ClN2O — CID 120814617

IUPAC(4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dimethylphenyl)methanone;hydrochloride
SMILESCc1cc(C)cc(C(=O)N2CCC(N)C(C)(C)C2)c1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-11-7-12(2)9-13(8-11)15(19)18-6-5-14(17)16(3,4)10-18;/h7-9,14H,5-6,10,17H2,1-4H3;1H
InChIKeyQVJKVUBCFQABHC-UHFFFAOYSA-N
MW296.84 g/mol
LogP2.92
Rot. Bonds1

About (4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dimethylphenyl)methanone;hydrochloride

(4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dimethylphenyl)methanone;hydrochloride (PubChem CID 120814617) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is (4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dimethylphenyl)methanone;hydrochloride.

Molecular Properties

Compound Name(4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dimethylphenyl)methanone;hydrochloride
PubChem CID120814617
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name(4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dimethylphenyl)methanone;hydrochloride
SMILESCc1cc(C)cc(C(=O)N2CCC(N)C(C)(C)C2)c1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-11-7-12(2)9-13(8-11)15(19)18-6-5-14(17)16(3,4)10-18;/h7-9,14H,5-6,10,17H2,1-4H3;1H
InChIKeyQVJKVUBCFQABHC-UHFFFAOYSA-N
XLogP2.92
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dichlorophenyl)methanone;hydrochloride
CID 120816240
(4-amino-3,3-dimethylpiperidin-1-yl)-phenylmethanone;hydrochloride
CID 120815405
1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]ethanone;hydrochloride
CID 120817656
(4-amino-3,3-dimethylpiperidin-1-yl)-(3,4-difluorophenyl)methanone;hydrochloride
CID 120814455
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-iodothiophen-3-yl)methanone;hydrochloride
CID 120816535
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(3,5-dimethylphenyl)cyclopropyl]methanone;hydrochloride
CID 120816629
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)-(1-methylpyrazol-4-yl)methanone;hydrochloride
CID 120816214
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-iodothiophen-3-yl)methanone
CID 120816536
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(3,5-dimethylphenoxy)propan-1-one;hydrochloride
CID 120815097

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dimethylphenyl)methanone;hydrochloride?
The IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dimethylphenyl)methanone;hydrochloride (CID 120814617) is (4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dimethylphenyl)methanone;hydrochloride.
What is the SMILES notation for (4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dimethylphenyl)methanone;hydrochloride?
The canonical SMILES for (4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dimethylphenyl)methanone;hydrochloride is Cc1cc(C)cc(C(=O)N2CCC(N)C(C)(C)C2)c1.Cl.
What is the InChIKey of (4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dimethylphenyl)methanone;hydrochloride?
The InChIKey is QVJKVUBCFQABHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O.ClH/c1-11-7-12(2)9-13(8-11)15(19)18-6-5-14(17)16(3,4)10-18;/h7-9,14H,5-6,10,17H2,1-4H3;1H.
What are the key properties of (4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dimethylphenyl)methanone;hydrochloride?
(4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dimethylphenyl)methanone;hydrochloride has a molecular weight of 296.84 g/mol, XLogP of 2.92, 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)-(3,5-dimethylphenyl)methanone;hydrochloride is sourced from PubChem (CID 120814617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).