(3S)-3-(2-methylpentoxy)piperidine

C11H23NO — CID 66247189

IUPAC(3S)-3-(2-methylpentoxy)piperidine
SMILESCCCC(C)CO[C@H]1CCCNC1
InChIInChI=1S/C11H23NO/c1-3-5-10(2)9-13-11-6-4-7-12-8-11/h10-12H,3-9H2,1-2H3/t10?,11-/m0/s1
InChIKeyJTESCCQABUKRCG-DTIOYNMSSA-N
MW185.31 g/mol
LogP2.19
Rot. Bonds5

About (3S)-3-(2-methylpentoxy)piperidine

(3S)-3-(2-methylpentoxy)piperidine (PubChem CID 66247189) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is (3S)-3-(2-methylpentoxy)piperidine.

Molecular Properties

Compound Name(3S)-3-(2-methylpentoxy)piperidine
PubChem CID66247189
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name(3S)-3-(2-methylpentoxy)piperidine
SMILESCCCC(C)CO[C@H]1CCCNC1
InChIInChI=1S/C11H23NO/c1-3-5-10(2)9-13-11-6-4-7-12-8-11/h10-12H,3-9H2,1-2H3/t10?,11-/m0/s1
InChIKeyJTESCCQABUKRCG-DTIOYNMSSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S)-3-(2-methylpentoxy)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-methylpentoxy)piperidine?
The IUPAC name of (3S)-3-(2-methylpentoxy)piperidine (CID 66247189) is (3S)-3-(2-methylpentoxy)piperidine.
What is the SMILES notation for (3S)-3-(2-methylpentoxy)piperidine?
The canonical SMILES for (3S)-3-(2-methylpentoxy)piperidine is CCCC(C)CO[C@H]1CCCNC1.
What is the InChIKey of (3S)-3-(2-methylpentoxy)piperidine?
The InChIKey is JTESCCQABUKRCG-DTIOYNMSSA-N. The full InChI is InChI=1S/C11H23NO/c1-3-5-10(2)9-13-11-6-4-7-12-8-11/h10-12H,3-9H2,1-2H3/t10?,11-/m0/s1.
What are the key properties of (3S)-3-(2-methylpentoxy)piperidine?
(3S)-3-(2-methylpentoxy)piperidine has a molecular weight of 185.31 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-methylpentoxy)piperidine is sourced from PubChem (CID 66247189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).