1-[(3,5-dimethylphenyl)methyl]piperidin-3-amine;hydrochloride

C14H23ClN2 — CID 119910098

IUPAC1-[(3,5-dimethylphenyl)methyl]piperidin-3-amine;hydrochloride
SMILESCc1cc(C)cc(CN2CCCC(N)C2)c1.Cl
InChIInChI=1S/C14H22N2.ClH/c1-11-6-12(2)8-13(7-11)9-16-5-3-4-14(15)10-16;/h6-8,14H,3-5,9-10,15H2,1-2H3;1H
InChIKeyKPFSRBYUMOJEKQ-UHFFFAOYSA-N
MW254.80 g/mol
LogP2.65
Rot. Bonds2

About 1-[(3,5-dimethylphenyl)methyl]piperidin-3-amine;hydrochloride

1-[(3,5-dimethylphenyl)methyl]piperidin-3-amine;hydrochloride (PubChem CID 119910098) has the molecular formula C14H23ClN2 and a molecular weight of 254.80 g/mol. Its IUPAC name is 1-[(3,5-dimethylphenyl)methyl]piperidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-[(3,5-dimethylphenyl)methyl]piperidin-3-amine;hydrochloride
PubChem CID119910098
Molecular FormulaC14H23ClN2
Molecular Weight254.80 g/mol
Exact Mass254.15
IUPAC Name1-[(3,5-dimethylphenyl)methyl]piperidin-3-amine;hydrochloride
SMILESCc1cc(C)cc(CN2CCCC(N)C2)c1.Cl
InChIInChI=1S/C14H22N2.ClH/c1-11-6-12(2)8-13(7-11)9-16-5-3-4-14(15)10-16;/h6-8,14H,3-5,9-10,15H2,1-2H3;1H
InChIKeyKPFSRBYUMOJEKQ-UHFFFAOYSA-N
XLogP2.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.80
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[(3-methylphenyl)methyl]piperidin-3-amine
CID 24904607
1-[(3,5-dimethylphenyl)methyl]azetidin-3-amine
CID 63760734
(3R)-1-[(3-bromo-4-methylphenyl)methyl]piperidin-3-amine
CID 99717486
1-[(3,5-dimethylphenyl)methyl]pyrrolidine
CID 90278828
1-[(3,5-dimethylphenyl)methyl]-3-methylpyrrolidine
CID 86880416
3-(chloromethyl)-1-[(3,5-dimethylphenyl)methyl]pyrrolidine
CID 63388705
2-[(3-aminopiperidin-1-yl)methyl]-4-methylphenol
CID 63325178
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-amine;dihydrochloride
CID 119910249
(3R)-1-[(5-bromothiophen-3-yl)methyl]piperidin-3-amine
CID 102977244
(3R)-1-[(3-fluorophenyl)methyl]piperidin-3-amine
CID 24904616
(3R)-1-[(4-bromo-3-chlorophenyl)methyl]piperidin-3-amine;hydrochloride
CID 120846008
(3R)-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidin-3-amine
CID 120845998

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethylphenyl)methyl]piperidin-3-amine;hydrochloride?
The IUPAC name of 1-[(3,5-dimethylphenyl)methyl]piperidin-3-amine;hydrochloride (CID 119910098) is 1-[(3,5-dimethylphenyl)methyl]piperidin-3-amine;hydrochloride.
What is the SMILES notation for 1-[(3,5-dimethylphenyl)methyl]piperidin-3-amine;hydrochloride?
The canonical SMILES for 1-[(3,5-dimethylphenyl)methyl]piperidin-3-amine;hydrochloride is Cc1cc(C)cc(CN2CCCC(N)C2)c1.Cl.
What is the InChIKey of 1-[(3,5-dimethylphenyl)methyl]piperidin-3-amine;hydrochloride?
The InChIKey is KPFSRBYUMOJEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2.ClH/c1-11-6-12(2)8-13(7-11)9-16-5-3-4-14(15)10-16;/h6-8,14H,3-5,9-10,15H2,1-2H3;1H.
What are the key properties of 1-[(3,5-dimethylphenyl)methyl]piperidin-3-amine;hydrochloride?
1-[(3,5-dimethylphenyl)methyl]piperidin-3-amine;hydrochloride has a molecular weight of 254.80 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethylphenyl)methyl]piperidin-3-amine;hydrochloride is sourced from PubChem (CID 119910098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).