(1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butan-1-amine

C16H26N2 — CID 10514609

IUPAC(1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butan-1-amine
SMILESCC(C)C[C@H](N)c1ccccc1N1CCCCC1
InChIInChI=1S/C16H26N2/c1-13(2)12-15(17)14-8-4-5-9-16(14)18-10-6-3-7-11-18/h4-5,8-9,13,15H,3,6-7,10-12,17H2,1-2H3/t15-/m0/s1
InChIKeyCARYLRSDNWJCJV-HNNXBMFYSA-N
MW246.40 g/mol
LogP3.72
Rot. Bonds4

About (1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butan-1-amine

(1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butan-1-amine (PubChem CID 10514609) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is (1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butan-1-amine.

Molecular Properties

Compound Name(1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butan-1-amine
PubChem CID10514609
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name(1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butan-1-amine
SMILESCC(C)C[C@H](N)c1ccccc1N1CCCCC1
InChIInChI=1S/C16H26N2/c1-13(2)12-15(17)14-8-4-5-9-16(14)18-10-6-3-7-11-18/h4-5,8-9,13,15H,3,6-7,10-12,17H2,1-2H3/t15-/m0/s1
InChIKeyCARYLRSDNWJCJV-HNNXBMFYSA-N
XLogP3.72
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butan-1-amine?
The IUPAC name of (1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butan-1-amine (CID 10514609) is (1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butan-1-amine.
What is the SMILES notation for (1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butan-1-amine?
The canonical SMILES for (1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butan-1-amine is CC(C)C[C@H](N)c1ccccc1N1CCCCC1.
What is the InChIKey of (1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butan-1-amine?
The InChIKey is CARYLRSDNWJCJV-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H26N2/c1-13(2)12-15(17)14-8-4-5-9-16(14)18-10-6-3-7-11-18/h4-5,8-9,13,15H,3,6-7,10-12,17H2,1-2H3/t15-/m0/s1.
What are the key properties of (1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butan-1-amine?
(1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butan-1-amine is sourced from PubChem (CID 10514609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).