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

C19H29ClN2O — CID 120816629

IUPAC(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(3,5-dimethylphenyl)cyclopropyl]methanone;hydrochloride
SMILESCc1cc(C)cc(C2(C(=O)N3CCC(N)C(C)(C)C3)CC2)c1.Cl
InChIInChI=1S/C19H28N2O.ClH/c1-13-9-14(2)11-15(10-13)19(6-7-19)17(22)21-8-5-16(20)18(3,4)12-21;/h9-11,16H,5-8,12,20H2,1-4H3;1H
InChIKeyVTNIFJRLXVRCCV-UHFFFAOYSA-N
MW336.91 g/mol
LogP3.34
Rot. Bonds2

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

(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(3,5-dimethylphenyl)cyclopropyl]methanone;hydrochloride (PubChem CID 120816629) has the molecular formula C19H29ClN2O and a molecular weight of 336.91 g/mol. Its IUPAC name is (4-amino-3,3-dimethylpiperidin-1-yl)-[1-(3,5-dimethylphenyl)cyclopropyl]methanone;hydrochloride.

Molecular Properties

Compound Name(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(3,5-dimethylphenyl)cyclopropyl]methanone;hydrochloride
PubChem CID120816629
Molecular FormulaC19H29ClN2O
Molecular Weight336.91 g/mol
Exact Mass336.20
IUPAC Name(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(3,5-dimethylphenyl)cyclopropyl]methanone;hydrochloride
SMILESCc1cc(C)cc(C2(C(=O)N3CCC(N)C(C)(C)C3)CC2)c1.Cl
InChIInChI=1S/C19H28N2O.ClH/c1-13-9-14(2)11-15(10-13)19(6-7-19)17(22)21-8-5-16(20)18(3,4)12-21;/h9-11,16H,5-8,12,20H2,1-4H3;1H
InChIKeyVTNIFJRLXVRCCV-UHFFFAOYSA-N
XLogP3.34
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.91
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dimethylphenyl)methanone;hydrochloride
CID 120814617
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(3-bromophenyl)cyclopentyl]methanone
CID 120818548
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(2-methoxyphenyl)cyclopropyl]methanone;hydrochloride
CID 120816573
(4-amino-3,3-dimethylpiperidin-1-yl)-[4-(3-fluorophenyl)oxan-4-yl]methanone;hydrochloride
CID 120818399
2-[1-[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]piperidin-4-yl]acetic acid
CID 119178178
(4-amino-3,3-dimethylpiperidin-1-yl)-(1-methylcyclopentyl)methanone
CID 120817727
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(3,5-dimethylphenoxy)propan-1-one;hydrochloride
CID 120815097
[1-(3,5-dimethylphenyl)cyclopropyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119490422
(4-amino-3,3-dimethylpiperidin-1-yl)-(1-ethylcyclopentyl)methanone
CID 120814044
(4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dichlorophenyl)methanone;hydrochloride
CID 120816240
(4-aminopiperidin-1-yl)-[1-(3-methylphenyl)cyclohexyl]methanone;hydrochloride
CID 119376299
(4-amino-3,3-dimethylpiperidin-1-yl)-cyclobutylmethanone;hydrochloride
CID 120818837

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-[1-(3,5-dimethylphenyl)cyclopropyl]methanone;hydrochloride?
The IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-[1-(3,5-dimethylphenyl)cyclopropyl]methanone;hydrochloride (CID 120816629) is (4-amino-3,3-dimethylpiperidin-1-yl)-[1-(3,5-dimethylphenyl)cyclopropyl]methanone;hydrochloride.
What is the SMILES notation for (4-amino-3,3-dimethylpiperidin-1-yl)-[1-(3,5-dimethylphenyl)cyclopropyl]methanone;hydrochloride?
The canonical SMILES for (4-amino-3,3-dimethylpiperidin-1-yl)-[1-(3,5-dimethylphenyl)cyclopropyl]methanone;hydrochloride is Cc1cc(C)cc(C2(C(=O)N3CCC(N)C(C)(C)C3)CC2)c1.Cl.
What is the InChIKey of (4-amino-3,3-dimethylpiperidin-1-yl)-[1-(3,5-dimethylphenyl)cyclopropyl]methanone;hydrochloride?
The InChIKey is VTNIFJRLXVRCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O.ClH/c1-13-9-14(2)11-15(10-13)19(6-7-19)17(22)21-8-5-16(20)18(3,4)12-21;/h9-11,16H,5-8,12,20H2,1-4H3;1H.
What are the key properties of (4-amino-3,3-dimethylpiperidin-1-yl)-[1-(3,5-dimethylphenyl)cyclopropyl]methanone;hydrochloride?
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(3,5-dimethylphenyl)cyclopropyl]methanone;hydrochloride has a molecular weight of 336.91 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 (4-amino-3,3-dimethylpiperidin-1-yl)-[1-(3,5-dimethylphenyl)cyclopropyl]methanone;hydrochloride is sourced from PubChem (CID 120816629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).