(3R)-N-[2-(4-methylphenyl)propan-2-yl]piperidin-3-amine

C15H24N2 — CID 95214949

IUPAC(3R)-N-[2-(4-methylphenyl)propan-2-yl]piperidin-3-amine
SMILESCc1ccc(C(C)(C)N[C@@H]2CCCNC2)cc1
InChIInChI=1S/C15H24N2/c1-12-6-8-13(9-7-12)15(2,3)17-14-5-4-10-16-11-14/h6-9,14,16-17H,4-5,10-11H2,1-3H3/t14-/m1/s1
InChIKeyRKEAHBREBNIYHZ-CQSZACIVSA-N
MW232.37 g/mol
LogP2.57
Rot. Bonds3

About (3R)-N-[2-(4-methylphenyl)propan-2-yl]piperidin-3-amine

(3R)-N-[2-(4-methylphenyl)propan-2-yl]piperidin-3-amine (PubChem CID 95214949) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is (3R)-N-[2-(4-methylphenyl)propan-2-yl]piperidin-3-amine.

Molecular Properties

Compound Name(3R)-N-[2-(4-methylphenyl)propan-2-yl]piperidin-3-amine
PubChem CID95214949
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name(3R)-N-[2-(4-methylphenyl)propan-2-yl]piperidin-3-amine
SMILESCc1ccc(C(C)(C)N[C@@H]2CCCNC2)cc1
InChIInChI=1S/C15H24N2/c1-12-6-8-13(9-7-12)15(2,3)17-14-5-4-10-16-11-14/h6-9,14,16-17H,4-5,10-11H2,1-3H3/t14-/m1/s1
InChIKeyRKEAHBREBNIYHZ-CQSZACIVSA-N
XLogP2.57
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(4-methylphenyl)propan-2-yl]piperidin-3-amine?
The IUPAC name of (3R)-N-[2-(4-methylphenyl)propan-2-yl]piperidin-3-amine (CID 95214949) is (3R)-N-[2-(4-methylphenyl)propan-2-yl]piperidin-3-amine.
What is the SMILES notation for (3R)-N-[2-(4-methylphenyl)propan-2-yl]piperidin-3-amine?
The canonical SMILES for (3R)-N-[2-(4-methylphenyl)propan-2-yl]piperidin-3-amine is Cc1ccc(C(C)(C)N[C@@H]2CCCNC2)cc1.
What is the InChIKey of (3R)-N-[2-(4-methylphenyl)propan-2-yl]piperidin-3-amine?
The InChIKey is RKEAHBREBNIYHZ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H24N2/c1-12-6-8-13(9-7-12)15(2,3)17-14-5-4-10-16-11-14/h6-9,14,16-17H,4-5,10-11H2,1-3H3/t14-/m1/s1.
What are the key properties of (3R)-N-[2-(4-methylphenyl)propan-2-yl]piperidin-3-amine?
(3R)-N-[2-(4-methylphenyl)propan-2-yl]piperidin-3-amine has a molecular weight of 232.37 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(4-methylphenyl)propan-2-yl]piperidin-3-amine is sourced from PubChem (CID 95214949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).