(2S,4S)-2-(2-methylphenyl)piperidin-4-amine

C12H18N2 — CID 82656145

IUPAC(2S,4S)-2-(2-methylphenyl)piperidin-4-amine
SMILESCc1ccccc1[C@@H]1C[C@@H](N)CCN1
InChIInChI=1S/C12H18N2/c1-9-4-2-3-5-11(9)12-8-10(13)6-7-14-12/h2-5,10,12,14H,6-8,13H2,1H3/t10-,12-/m0/s1
InChIKeyOWDLSTXAECMQIH-JQWIXIFHSA-N
MW190.29 g/mol
LogP1.75
Rot. Bonds1

About (2S,4S)-2-(2-methylphenyl)piperidin-4-amine

(2S,4S)-2-(2-methylphenyl)piperidin-4-amine (PubChem CID 82656145) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is (2S,4S)-2-(2-methylphenyl)piperidin-4-amine.

Molecular Properties

Compound Name(2S,4S)-2-(2-methylphenyl)piperidin-4-amine
PubChem CID82656145
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name(2S,4S)-2-(2-methylphenyl)piperidin-4-amine
SMILESCc1ccccc1[C@@H]1C[C@@H](N)CCN1
InChIInChI=1S/C12H18N2/c1-9-4-2-3-5-11(9)12-8-10(13)6-7-14-12/h2-5,10,12,14H,6-8,13H2,1H3/t10-,12-/m0/s1
InChIKeyOWDLSTXAECMQIH-JQWIXIFHSA-N
XLogP1.75
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-(2-methylphenyl)piperidin-4-amine?
The IUPAC name of (2S,4S)-2-(2-methylphenyl)piperidin-4-amine (CID 82656145) is (2S,4S)-2-(2-methylphenyl)piperidin-4-amine.
What is the SMILES notation for (2S,4S)-2-(2-methylphenyl)piperidin-4-amine?
The canonical SMILES for (2S,4S)-2-(2-methylphenyl)piperidin-4-amine is Cc1ccccc1[C@@H]1C[C@@H](N)CCN1.
What is the InChIKey of (2S,4S)-2-(2-methylphenyl)piperidin-4-amine?
The InChIKey is OWDLSTXAECMQIH-JQWIXIFHSA-N. The full InChI is InChI=1S/C12H18N2/c1-9-4-2-3-5-11(9)12-8-10(13)6-7-14-12/h2-5,10,12,14H,6-8,13H2,1H3/t10-,12-/m0/s1.
What are the key properties of (2S,4S)-2-(2-methylphenyl)piperidin-4-amine?
(2S,4S)-2-(2-methylphenyl)piperidin-4-amine has a molecular weight of 190.29 g/mol, XLogP of 1.75, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-(2-methylphenyl)piperidin-4-amine is sourced from PubChem (CID 82656145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).