[4-(methylaminomethyl)piperidin-1-yl]-(3-methylphenyl)methanone;hydrochloride

C15H23ClN2O — CID 119545466

IUPAC[4-(methylaminomethyl)piperidin-1-yl]-(3-methylphenyl)methanone;hydrochloride
SMILESCNCC1CCN(C(=O)c2cccc(C)c2)CC1.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-12-4-3-5-14(10-12)15(18)17-8-6-13(7-9-17)11-16-2;/h3-5,10,13,16H,6-9,11H2,1-2H3;1H
InChIKeyCJYMRUPJIKMGCH-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.49
Rot. Bonds3

About [4-(methylaminomethyl)piperidin-1-yl]-(3-methylphenyl)methanone;hydrochloride

[4-(methylaminomethyl)piperidin-1-yl]-(3-methylphenyl)methanone;hydrochloride (PubChem CID 119545466) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is [4-(methylaminomethyl)piperidin-1-yl]-(3-methylphenyl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(methylaminomethyl)piperidin-1-yl]-(3-methylphenyl)methanone;hydrochloride
PubChem CID119545466
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name[4-(methylaminomethyl)piperidin-1-yl]-(3-methylphenyl)methanone;hydrochloride
SMILESCNCC1CCN(C(=O)c2cccc(C)c2)CC1.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-12-4-3-5-14(10-12)15(18)17-8-6-13(7-9-17)11-16-2;/h3-5,10,13,16H,6-9,11H2,1-2H3;1H
InChIKeyCJYMRUPJIKMGCH-UHFFFAOYSA-N
XLogP2.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chlorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248550
[4-(methylaminomethyl)piperidin-1-yl]-phenylmethanone
CID 22983162
1,1-dimethyl-3-[3-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]urea;hydrochloride
CID 119545663
[3-[(2,4-dimethylphenyl)sulfanylmethyl]phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119542667
3-[4-(methylaminomethyl)piperidine-1-carbonyl]-N,N-dipropylbenzamide
CID 119544153
(3-methylphenyl)-[4-(piperidin-1-ylmethyl)piperidin-1-yl]methanone
CID 141155816
(4-iodophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119542556
(3-methylphenyl)-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone
CID 110102766
3-[4-(methylaminomethyl)piperidine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide;hydrochloride
CID 119542651
[3-(2-bromoethyl)pyrrolidin-1-yl]-(3-methylphenyl)methanone
CID 114801549
(3,4-diethoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119543155
N-[4-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]acetamide;hydrochloride
CID 119542570

Frequently Asked Questions

What is the IUPAC name of [4-(methylaminomethyl)piperidin-1-yl]-(3-methylphenyl)methanone;hydrochloride?
The IUPAC name of [4-(methylaminomethyl)piperidin-1-yl]-(3-methylphenyl)methanone;hydrochloride (CID 119545466) is [4-(methylaminomethyl)piperidin-1-yl]-(3-methylphenyl)methanone;hydrochloride.
What is the SMILES notation for [4-(methylaminomethyl)piperidin-1-yl]-(3-methylphenyl)methanone;hydrochloride?
The canonical SMILES for [4-(methylaminomethyl)piperidin-1-yl]-(3-methylphenyl)methanone;hydrochloride is CNCC1CCN(C(=O)c2cccc(C)c2)CC1.Cl.
What is the InChIKey of [4-(methylaminomethyl)piperidin-1-yl]-(3-methylphenyl)methanone;hydrochloride?
The InChIKey is CJYMRUPJIKMGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O.ClH/c1-12-4-3-5-14(10-12)15(18)17-8-6-13(7-9-17)11-16-2;/h3-5,10,13,16H,6-9,11H2,1-2H3;1H.
What are the key properties of [4-(methylaminomethyl)piperidin-1-yl]-(3-methylphenyl)methanone;hydrochloride?
[4-(methylaminomethyl)piperidin-1-yl]-(3-methylphenyl)methanone;hydrochloride has a molecular weight of 282.81 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylaminomethyl)piperidin-1-yl]-(3-methylphenyl)methanone;hydrochloride is sourced from PubChem (CID 119545466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).