(2,4-dimethylphenyl)-piperidin-3-ylmethanamine

C14H22N2 — CID 116935781

IUPAC(2,4-dimethylphenyl)-piperidin-3-ylmethanamine
SMILESCc1ccc(C(N)C2CCCNC2)c(C)c1
InChIInChI=1S/C14H22N2/c1-10-5-6-13(11(2)8-10)14(15)12-4-3-7-16-9-12/h5-6,8,12,14,16H,3-4,7,9,15H2,1-2H3
InChIKeyOLZHDQVVBGQUDD-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.30
Rot. Bonds2

About (2,4-dimethylphenyl)-piperidin-3-ylmethanamine

(2,4-dimethylphenyl)-piperidin-3-ylmethanamine (PubChem CID 116935781) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is (2,4-dimethylphenyl)-piperidin-3-ylmethanamine.

Molecular Properties

Compound Name(2,4-dimethylphenyl)-piperidin-3-ylmethanamine
PubChem CID116935781
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name(2,4-dimethylphenyl)-piperidin-3-ylmethanamine
SMILESCc1ccc(C(N)C2CCCNC2)c(C)c1
InChIInChI=1S/C14H22N2/c1-10-5-6-13(11(2)8-10)14(15)12-4-3-7-16-9-12/h5-6,8,12,14,16H,3-4,7,9,15H2,1-2H3
InChIKeyOLZHDQVVBGQUDD-UHFFFAOYSA-N
XLogP2.30
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-cyclobutyl-(2,4-dimethylphenyl)methanamine;hydrochloride
CID 171213154
(2-methyl-5-propan-2-ylphenyl)-piperidin-3-ylmethanamine
CID 116935834
(6-methyl-1,3-benzodioxol-5-yl)-piperidin-3-ylmethanamine
CID 116935869
4-[amino-(2,4-dimethylphenyl)methyl]-N-methylcyclohexan-1-amine
CID 116937234
(2,4-dimethylphenyl)-(3-ethylcyclohexyl)methanamine
CID 65415138
cyclobutyl-(4-iodo-2-methylphenyl)methanamine
CID 130061284
1-[(R)-cyclopentyl-(2,4-dimethylphenyl)methyl]piperazine
CID 95475271
(4-methylphenyl)-piperidin-3-ylmethanol
CID 43146496
(2-methoxy-3,5-dimethylphenyl)-pyrrolidin-3-ylmethanamine
CID 116935549
(4-fluoro-2-methylphenyl)-piperidin-3-ylmethanol
CID 80560290
(S)-(4-chloro-2-methylphenyl)-cyclopentylmethanamine
CID 131595762
4-[(2,4-dimethylphenyl)-fluoromethyl]piperidine
CID 112563629

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl)-piperidin-3-ylmethanamine?
The IUPAC name of (2,4-dimethylphenyl)-piperidin-3-ylmethanamine (CID 116935781) is (2,4-dimethylphenyl)-piperidin-3-ylmethanamine.
What is the SMILES notation for (2,4-dimethylphenyl)-piperidin-3-ylmethanamine?
The canonical SMILES for (2,4-dimethylphenyl)-piperidin-3-ylmethanamine is Cc1ccc(C(N)C2CCCNC2)c(C)c1.
What is the InChIKey of (2,4-dimethylphenyl)-piperidin-3-ylmethanamine?
The InChIKey is OLZHDQVVBGQUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-10-5-6-13(11(2)8-10)14(15)12-4-3-7-16-9-12/h5-6,8,12,14,16H,3-4,7,9,15H2,1-2H3.
What are the key properties of (2,4-dimethylphenyl)-piperidin-3-ylmethanamine?
(2,4-dimethylphenyl)-piperidin-3-ylmethanamine has a molecular weight of 218.34 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylphenyl)-piperidin-3-ylmethanamine is sourced from PubChem (CID 116935781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).