(3-aminopiperidin-1-yl)-(3,4-dimethylphenyl)methanone;hydrochloride

C14H21ClN2O — CID 119381443

IUPAC(3-aminopiperidin-1-yl)-(3,4-dimethylphenyl)methanone;hydrochloride
SMILESCc1ccc(C(=O)N2CCCC(N)C2)cc1C.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-10-5-6-12(8-11(10)2)14(17)16-7-3-4-13(15)9-16;/h5-6,8,13H,3-4,7,9,15H2,1-2H3;1H
InChIKeyVPZXULNZPLOUHJ-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.29
Rot. Bonds1

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

(3-aminopiperidin-1-yl)-(3,4-dimethylphenyl)methanone;hydrochloride (PubChem CID 119381443) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-(3,4-dimethylphenyl)methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-(3,4-dimethylphenyl)methanone;hydrochloride
PubChem CID119381443
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name(3-aminopiperidin-1-yl)-(3,4-dimethylphenyl)methanone;hydrochloride
SMILESCc1ccc(C(=O)N2CCCC(N)C2)cc1C.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-10-5-6-12(8-11(10)2)14(17)16-7-3-4-13(15)9-16;/h5-6,8,13H,3-4,7,9,15H2,1-2H3;1H
InChIKeyVPZXULNZPLOUHJ-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-aminopyrrolidin-1-yl)-(3,4-dimethylphenyl)methanone;hydrochloride
CID 119483089
(3-aminopiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone
CID 61297571
(3-aminopiperidin-1-yl)-(4-methyl-3-methylsulfonylphenyl)methanone;hydrochloride
CID 119378692
[3-(2-aminoethyl)piperidin-1-yl]-(3,4-dimethylphenyl)methanone
CID 63767469
(3-aminopiperidin-1-yl)-(2-methyl-4-pyridinyl)methanone
CID 106752260
[(3R)-3-aminopyrrolidin-1-yl]-(4-chloro-3-methylphenyl)methanone;hydrochloride
CID 119413588
1-(3,4-dimethylbenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041489
(3-aminopiperidin-1-yl)-(4-tert-butylphenyl)methanone;hydrochloride
CID 75526663
[(3R)-3-aminopiperidin-1-yl]-[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 124594340
[(3R)-3-aminopyrrolidin-1-yl]-(4-methoxy-3-methylphenyl)methanone
CID 129462233
2-(3-aminopiperidine-1-carbonyl)-3,6-dimethylbenzoic acid
CID 103428976
(3-aminopiperidin-1-yl)-(4-ethoxy-3-methoxyphenyl)methanone;hydrochloride
CID 119378962

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-(3,4-dimethylphenyl)methanone;hydrochloride?
The IUPAC name of (3-aminopiperidin-1-yl)-(3,4-dimethylphenyl)methanone;hydrochloride (CID 119381443) is (3-aminopiperidin-1-yl)-(3,4-dimethylphenyl)methanone;hydrochloride.
What is the SMILES notation for (3-aminopiperidin-1-yl)-(3,4-dimethylphenyl)methanone;hydrochloride?
The canonical SMILES for (3-aminopiperidin-1-yl)-(3,4-dimethylphenyl)methanone;hydrochloride is Cc1ccc(C(=O)N2CCCC(N)C2)cc1C.Cl.
What is the InChIKey of (3-aminopiperidin-1-yl)-(3,4-dimethylphenyl)methanone;hydrochloride?
The InChIKey is VPZXULNZPLOUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O.ClH/c1-10-5-6-12(8-11(10)2)14(17)16-7-3-4-13(15)9-16;/h5-6,8,13H,3-4,7,9,15H2,1-2H3;1H.
What are the key properties of (3-aminopiperidin-1-yl)-(3,4-dimethylphenyl)methanone;hydrochloride?
(3-aminopiperidin-1-yl)-(3,4-dimethylphenyl)methanone;hydrochloride has a molecular weight of 268.79 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-(3,4-dimethylphenyl)methanone;hydrochloride is sourced from PubChem (CID 119381443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).