[2-(aminomethyl)piperidin-1-yl]-(2-methylphenyl)methanone;hydrochloride

C14H21ClN2O — CID 119466148

IUPAC[2-(aminomethyl)piperidin-1-yl]-(2-methylphenyl)methanone;hydrochloride
SMILESCc1ccccc1C(=O)N1CCCCC1CN.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-11-6-2-3-8-13(11)14(17)16-9-5-4-7-12(16)10-15;/h2-3,6,8,12H,4-5,7,9-10,15H2,1H3;1H
InChIKeyXZUUNKLDZZRRSQ-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.37
Rot. Bonds2

About [2-(aminomethyl)piperidin-1-yl]-(2-methylphenyl)methanone;hydrochloride

[2-(aminomethyl)piperidin-1-yl]-(2-methylphenyl)methanone;hydrochloride (PubChem CID 119466148) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is [2-(aminomethyl)piperidin-1-yl]-(2-methylphenyl)methanone;hydrochloride.

Molecular Properties

Compound Name[2-(aminomethyl)piperidin-1-yl]-(2-methylphenyl)methanone;hydrochloride
PubChem CID119466148
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name[2-(aminomethyl)piperidin-1-yl]-(2-methylphenyl)methanone;hydrochloride
SMILESCc1ccccc1C(=O)N1CCCCC1CN.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-11-6-2-3-8-13(11)14(17)16-9-5-4-7-12(16)10-15;/h2-3,6,8,12H,4-5,7,9-10,15H2,1H3;1H
InChIKeyXZUUNKLDZZRRSQ-UHFFFAOYSA-N
XLogP2.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(aminomethyl)azepan-1-yl]-(2,3-dimethylphenyl)methanone
CID 116640061
[2-(bromomethyl)azepan-1-yl]-(2-methylphenyl)methanone
CID 116639448
[2-(aminomethyl)pyrrolidin-1-yl]-(2-chlorophenyl)methanone
CID 81482963
[(2S)-2-(aminomethyl)piperidin-1-yl]-(3-bromo-2-methylphenyl)methanone
CID 124513776
(2-ethylpyrrolidin-1-yl)-(2-methylphenyl)methanone
CID 110604637
[2-(aminomethyl)azepan-1-yl]-(2,4-dimethylphenyl)methanone
CID 116639963
(2-methylphenyl)-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 29339285
(2-methylphenyl)-[(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone
CID 40776068
3-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 125134550
[2-(aminomethyl)pyrrolidin-1-yl]-(3-iodo-2-methylphenyl)methanone;hydrochloride
CID 119633627
[2-(aminomethyl)pyrrolidin-1-yl]-(3-bromo-2-methylphenyl)methanone;hydrochloride
CID 119633395
[2-(aminomethyl)piperidin-1-yl]-(2,3-dimethoxyphenyl)methanone;hydrochloride
CID 119469424

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)piperidin-1-yl]-(2-methylphenyl)methanone;hydrochloride?
The IUPAC name of [2-(aminomethyl)piperidin-1-yl]-(2-methylphenyl)methanone;hydrochloride (CID 119466148) is [2-(aminomethyl)piperidin-1-yl]-(2-methylphenyl)methanone;hydrochloride.
What is the SMILES notation for [2-(aminomethyl)piperidin-1-yl]-(2-methylphenyl)methanone;hydrochloride?
The canonical SMILES for [2-(aminomethyl)piperidin-1-yl]-(2-methylphenyl)methanone;hydrochloride is Cc1ccccc1C(=O)N1CCCCC1CN.Cl.
What is the InChIKey of [2-(aminomethyl)piperidin-1-yl]-(2-methylphenyl)methanone;hydrochloride?
The InChIKey is XZUUNKLDZZRRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O.ClH/c1-11-6-2-3-8-13(11)14(17)16-9-5-4-7-12(16)10-15;/h2-3,6,8,12H,4-5,7,9-10,15H2,1H3;1H.
What are the key properties of [2-(aminomethyl)piperidin-1-yl]-(2-methylphenyl)methanone;hydrochloride?
[2-(aminomethyl)piperidin-1-yl]-(2-methylphenyl)methanone;hydrochloride has a molecular weight of 268.79 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)piperidin-1-yl]-(2-methylphenyl)methanone;hydrochloride is sourced from PubChem (CID 119466148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).