1-(2-methylphenyl)-3-piperidin-1-ylpropan-2-amine

C15H24N2 — CID 82289885

IUPAC1-(2-methylphenyl)-3-piperidin-1-ylpropan-2-amine
SMILESCc1ccccc1CC(N)CN1CCCCC1
InChIInChI=1S/C15H24N2/c1-13-7-3-4-8-14(13)11-15(16)12-17-9-5-2-6-10-17/h3-4,7-8,15H,2,5-6,9-12,16H2,1H3
InChIKeyNYINYTDKXOPOST-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.35
Rot. Bonds4

About 1-(2-methylphenyl)-3-piperidin-1-ylpropan-2-amine

1-(2-methylphenyl)-3-piperidin-1-ylpropan-2-amine (PubChem CID 82289885) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3-piperidin-1-ylpropan-2-amine.

Molecular Properties

Compound Name1-(2-methylphenyl)-3-piperidin-1-ylpropan-2-amine
PubChem CID82289885
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name1-(2-methylphenyl)-3-piperidin-1-ylpropan-2-amine
SMILESCc1ccccc1CC(N)CN1CCCCC1
InChIInChI=1S/C15H24N2/c1-13-7-3-4-8-14(13)11-15(16)12-17-9-5-2-6-10-17/h3-4,7-8,15H,2,5-6,9-12,16H2,1H3
InChIKeyNYINYTDKXOPOST-UHFFFAOYSA-N
XLogP2.35
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azepan-1-yl)-1-(2-methylphenyl)ethanamine
CID 16787615
1-(4-methylphenyl)-3-piperidin-1-ylpropan-2-amine
CID 82289895
N-[(2-methylphenyl)methyl]-1-phenyl-2-pyrrolidin-1-ylethanamine
CID 78849604
1-(azocan-1-yl)-4-phenylbutan-2-amine
CID 114929504
2-methyl-N-[(2-methylphenyl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 54893415
4-phenyl-1-pyrrolidin-1-ylbutan-2-amine
CID 114929475
N-[2-(2-methylphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 113408558
5-methyl-1-(2-methylphenyl)hexan-2-amine
CID 61077626
1-[1-(2-methylphenyl)pentan-2-yl]piperidine
CID 176959434
1-(azepan-1-yl)-3-(4-tert-butylphenyl)propan-2-amine;dihydrochloride
CID 10155485
1-[(2-methylphenyl)methyl]azetidine;hydrochloride
CID 166756979
1-[(1E)-cycloocten-1-yl]-2-(2-methylphenyl)ethanamine
CID 106652690

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-3-piperidin-1-ylpropan-2-amine?
The IUPAC name of 1-(2-methylphenyl)-3-piperidin-1-ylpropan-2-amine (CID 82289885) is 1-(2-methylphenyl)-3-piperidin-1-ylpropan-2-amine.
What is the SMILES notation for 1-(2-methylphenyl)-3-piperidin-1-ylpropan-2-amine?
The canonical SMILES for 1-(2-methylphenyl)-3-piperidin-1-ylpropan-2-amine is Cc1ccccc1CC(N)CN1CCCCC1.
What is the InChIKey of 1-(2-methylphenyl)-3-piperidin-1-ylpropan-2-amine?
The InChIKey is NYINYTDKXOPOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-13-7-3-4-8-14(13)11-15(16)12-17-9-5-2-6-10-17/h3-4,7-8,15H,2,5-6,9-12,16H2,1H3.
What are the key properties of 1-(2-methylphenyl)-3-piperidin-1-ylpropan-2-amine?
1-(2-methylphenyl)-3-piperidin-1-ylpropan-2-amine has a molecular weight of 232.37 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-3-piperidin-1-ylpropan-2-amine is sourced from PubChem (CID 82289885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).