(1R)-1-[4-(2-methylpiperidin-1-yl)phenyl]propan-1-amine

C15H24N2 — CID 114065949

IUPAC(1R)-1-[4-(2-methylpiperidin-1-yl)phenyl]propan-1-amine
SMILESCC[C@@H](N)c1ccc(N2CCCCC2C)cc1
InChIInChI=1S/C15H24N2/c1-3-15(16)13-7-9-14(10-8-13)17-11-5-4-6-12(17)2/h7-10,12,15H,3-6,11,16H2,1-2H3/t12?,15-/m1/s1
InChIKeyBXMAQUMTJDRASK-WPZCJLIBSA-N
MW232.37 g/mol
LogP3.48
Rot. Bonds3

About (1R)-1-[4-(2-methylpiperidin-1-yl)phenyl]propan-1-amine

(1R)-1-[4-(2-methylpiperidin-1-yl)phenyl]propan-1-amine (PubChem CID 114065949) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is (1R)-1-[4-(2-methylpiperidin-1-yl)phenyl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[4-(2-methylpiperidin-1-yl)phenyl]propan-1-amine
PubChem CID114065949
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name(1R)-1-[4-(2-methylpiperidin-1-yl)phenyl]propan-1-amine
SMILESCC[C@@H](N)c1ccc(N2CCCCC2C)cc1
InChIInChI=1S/C15H24N2/c1-3-15(16)13-7-9-14(10-8-13)17-11-5-4-6-12(17)2/h7-10,12,15H,3-6,11,16H2,1-2H3/t12?,15-/m1/s1
InChIKeyBXMAQUMTJDRASK-WPZCJLIBSA-N
XLogP3.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(2-methylpiperidin-1-yl)phenyl]propan-1-amine?
The IUPAC name of (1R)-1-[4-(2-methylpiperidin-1-yl)phenyl]propan-1-amine (CID 114065949) is (1R)-1-[4-(2-methylpiperidin-1-yl)phenyl]propan-1-amine.
What is the SMILES notation for (1R)-1-[4-(2-methylpiperidin-1-yl)phenyl]propan-1-amine?
The canonical SMILES for (1R)-1-[4-(2-methylpiperidin-1-yl)phenyl]propan-1-amine is CC[C@@H](N)c1ccc(N2CCCCC2C)cc1.
What is the InChIKey of (1R)-1-[4-(2-methylpiperidin-1-yl)phenyl]propan-1-amine?
The InChIKey is BXMAQUMTJDRASK-WPZCJLIBSA-N. The full InChI is InChI=1S/C15H24N2/c1-3-15(16)13-7-9-14(10-8-13)17-11-5-4-6-12(17)2/h7-10,12,15H,3-6,11,16H2,1-2H3/t12?,15-/m1/s1.
What are the key properties of (1R)-1-[4-(2-methylpiperidin-1-yl)phenyl]propan-1-amine?
(1R)-1-[4-(2-methylpiperidin-1-yl)phenyl]propan-1-amine has a molecular weight of 232.37 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(2-methylpiperidin-1-yl)phenyl]propan-1-amine is sourced from PubChem (CID 114065949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).