[1-[(2,5-dimethylphenyl)methyl]piperidin-2-yl]methanamine;hydrochloride

C15H25ClN2 — CID 119916076

IUPAC[1-[(2,5-dimethylphenyl)methyl]piperidin-2-yl]methanamine;hydrochloride
SMILESCc1ccc(C)c(CN2CCCCC2CN)c1.Cl
InChIInChI=1S/C15H24N2.ClH/c1-12-6-7-13(2)14(9-12)11-17-8-4-3-5-15(17)10-16;/h6-7,9,15H,3-5,8,10-11,16H2,1-2H3;1H
InChIKeyZECAIFVQDHFFSY-UHFFFAOYSA-N
MW268.83 g/mol
LogP3.04
Rot. Bonds3

About [1-[(2,5-dimethylphenyl)methyl]piperidin-2-yl]methanamine;hydrochloride

[1-[(2,5-dimethylphenyl)methyl]piperidin-2-yl]methanamine;hydrochloride (PubChem CID 119916076) has the molecular formula C15H25ClN2 and a molecular weight of 268.83 g/mol. Its IUPAC name is [1-[(2,5-dimethylphenyl)methyl]piperidin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[(2,5-dimethylphenyl)methyl]piperidin-2-yl]methanamine;hydrochloride
PubChem CID119916076
Molecular FormulaC15H25ClN2
Molecular Weight268.83 g/mol
Exact Mass268.17
IUPAC Name[1-[(2,5-dimethylphenyl)methyl]piperidin-2-yl]methanamine;hydrochloride
SMILESCc1ccc(C)c(CN2CCCCC2CN)c1.Cl
InChIInChI=1S/C15H24N2.ClH/c1-12-6-7-13(2)14(9-12)11-17-8-4-3-5-15(17)10-16;/h6-7,9,15H,3-5,8,10-11,16H2,1-2H3;1H
InChIKeyZECAIFVQDHFFSY-UHFFFAOYSA-N
XLogP3.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.83
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(2,5-dimethylphenyl)methyl]azepan-2-yl]methanol
CID 116637472
1-[1-[(2,5-dimethylphenyl)methyl]piperidin-2-yl]ethanamine;hydrochloride
CID 119911372
[1-[(4-methyl-3-pyridinyl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 120836903
[1-[(2,5-dimethylphenyl)methyl]-4-ethylpiperidin-2-yl]methanamine
CID 103351706
[1-[(2,4,6-trimethylphenyl)methyl]azepan-2-yl]methanamine
CID 116640521
[1-[(2,4,6-trimethylphenyl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 119927229
[1-[(2,3-dimethylphenyl)methyl]pyrrolidin-2-yl]methanamine
CID 115311614
[1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 119927215
[1-[(2-chlorophenyl)methyl]piperidin-2-yl]methanamine
CID 43187060
[(2S)-1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]methanamine
CID 86329767
2-[[(2S)-2-(aminomethyl)piperidin-1-yl]methyl]-6-methyl-1H-quinolin-4-one
CID 97132129
[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]methanamine
CID 83089134

Frequently Asked Questions

What is the IUPAC name of [1-[(2,5-dimethylphenyl)methyl]piperidin-2-yl]methanamine;hydrochloride?
The IUPAC name of [1-[(2,5-dimethylphenyl)methyl]piperidin-2-yl]methanamine;hydrochloride (CID 119916076) is [1-[(2,5-dimethylphenyl)methyl]piperidin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[(2,5-dimethylphenyl)methyl]piperidin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[(2,5-dimethylphenyl)methyl]piperidin-2-yl]methanamine;hydrochloride is Cc1ccc(C)c(CN2CCCCC2CN)c1.Cl.
What is the InChIKey of [1-[(2,5-dimethylphenyl)methyl]piperidin-2-yl]methanamine;hydrochloride?
The InChIKey is ZECAIFVQDHFFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2.ClH/c1-12-6-7-13(2)14(9-12)11-17-8-4-3-5-15(17)10-16;/h6-7,9,15H,3-5,8,10-11,16H2,1-2H3;1H.
What are the key properties of [1-[(2,5-dimethylphenyl)methyl]piperidin-2-yl]methanamine;hydrochloride?
[1-[(2,5-dimethylphenyl)methyl]piperidin-2-yl]methanamine;hydrochloride has a molecular weight of 268.83 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,5-dimethylphenyl)methyl]piperidin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 119916076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).