(3S)-3-[(E)-3-chloroprop-2-enoxy]piperidine

C8H14ClNO — CID 66246195

IUPAC(3S)-3-[(E)-3-chloroprop-2-enoxy]piperidine
SMILESCl/C=C/CO[C@H]1CCCNC1
InChIInChI=1S/C8H14ClNO/c9-4-2-6-11-8-3-1-5-10-7-8/h2,4,8,10H,1,3,5-7H2/b4-2+/t8-/m0/s1
InChIKeyLBMANKVZQUMXEO-KHVHVRLGSA-N
MW175.66 g/mol
LogP1.51
Rot. Bonds3

About (3S)-3-[(E)-3-chloroprop-2-enoxy]piperidine

(3S)-3-[(E)-3-chloroprop-2-enoxy]piperidine (PubChem CID 66246195) has the molecular formula C8H14ClNO and a molecular weight of 175.66 g/mol. Its IUPAC name is (3S)-3-[(E)-3-chloroprop-2-enoxy]piperidine.

Molecular Properties

Compound Name(3S)-3-[(E)-3-chloroprop-2-enoxy]piperidine
PubChem CID66246195
Molecular FormulaC8H14ClNO
Molecular Weight175.66 g/mol
Exact Mass175.08
IUPAC Name(3S)-3-[(E)-3-chloroprop-2-enoxy]piperidine
SMILESCl/C=C/CO[C@H]1CCCNC1
InChIInChI=1S/C8H14ClNO/c9-4-2-6-11-8-3-1-5-10-7-8/h2,4,8,10H,1,3,5-7H2/b4-2+/t8-/m0/s1
InChIKeyLBMANKVZQUMXEO-KHVHVRLGSA-N
XLogP1.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.66
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S)-3-[(E)-3-chloroprop-2-enoxy]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-[(E)-3-chloroprop-2-enoxy]piperidine?
The IUPAC name of (3S)-3-[(E)-3-chloroprop-2-enoxy]piperidine (CID 66246195) is (3S)-3-[(E)-3-chloroprop-2-enoxy]piperidine.
What is the SMILES notation for (3S)-3-[(E)-3-chloroprop-2-enoxy]piperidine?
The canonical SMILES for (3S)-3-[(E)-3-chloroprop-2-enoxy]piperidine is Cl/C=C/CO[C@H]1CCCNC1.
What is the InChIKey of (3S)-3-[(E)-3-chloroprop-2-enoxy]piperidine?
The InChIKey is LBMANKVZQUMXEO-KHVHVRLGSA-N. The full InChI is InChI=1S/C8H14ClNO/c9-4-2-6-11-8-3-1-5-10-7-8/h2,4,8,10H,1,3,5-7H2/b4-2+/t8-/m0/s1.
What are the key properties of (3S)-3-[(E)-3-chloroprop-2-enoxy]piperidine?
(3S)-3-[(E)-3-chloroprop-2-enoxy]piperidine has a molecular weight of 175.66 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(E)-3-chloroprop-2-enoxy]piperidine is sourced from PubChem (CID 66246195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).