[1-[(E)-3-chloroprop-2-enyl]-6-methylpiperidin-2-yl]methanol

C10H18ClNO — CID 110017020

IUPAC[1-[(E)-3-chloroprop-2-enyl]-6-methylpiperidin-2-yl]methanol
SMILESCC1CCCC(CO)N1C/C=C/Cl
InChIInChI=1S/C10H18ClNO/c1-9-4-2-5-10(8-13)12(9)7-3-6-11/h3,6,9-10,13H,2,4-5,7-8H2,1H3/b6-3+
InChIKeyDYEBPQKEMYTWDY-ZZXKWVIFSA-N
MW203.71 g/mol
LogP1.97
Rot. Bonds3

About [1-[(E)-3-chloroprop-2-enyl]-6-methylpiperidin-2-yl]methanol

[1-[(E)-3-chloroprop-2-enyl]-6-methylpiperidin-2-yl]methanol (PubChem CID 110017020) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is [1-[(E)-3-chloroprop-2-enyl]-6-methylpiperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[(E)-3-chloroprop-2-enyl]-6-methylpiperidin-2-yl]methanol
PubChem CID110017020
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC Name[1-[(E)-3-chloroprop-2-enyl]-6-methylpiperidin-2-yl]methanol
SMILESCC1CCCC(CO)N1C/C=C/Cl
InChIInChI=1S/C10H18ClNO/c1-9-4-2-5-10(8-13)12(9)7-3-6-11/h3,6,9-10,13H,2,4-5,7-8H2,1H3/b6-3+
InChIKeyDYEBPQKEMYTWDY-ZZXKWVIFSA-N
XLogP1.97
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.71
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-[(E)-3-chloroprop-2-enyl]-6-methylpiperidin-2-yl]methanol 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 [1-[(E)-3-chloroprop-2-enyl]-6-methylpiperidin-2-yl]methanol?
The IUPAC name of [1-[(E)-3-chloroprop-2-enyl]-6-methylpiperidin-2-yl]methanol (CID 110017020) is [1-[(E)-3-chloroprop-2-enyl]-6-methylpiperidin-2-yl]methanol.
What is the SMILES notation for [1-[(E)-3-chloroprop-2-enyl]-6-methylpiperidin-2-yl]methanol?
The canonical SMILES for [1-[(E)-3-chloroprop-2-enyl]-6-methylpiperidin-2-yl]methanol is CC1CCCC(CO)N1C/C=C/Cl.
What is the InChIKey of [1-[(E)-3-chloroprop-2-enyl]-6-methylpiperidin-2-yl]methanol?
The InChIKey is DYEBPQKEMYTWDY-ZZXKWVIFSA-N. The full InChI is InChI=1S/C10H18ClNO/c1-9-4-2-5-10(8-13)12(9)7-3-6-11/h3,6,9-10,13H,2,4-5,7-8H2,1H3/b6-3+.
What are the key properties of [1-[(E)-3-chloroprop-2-enyl]-6-methylpiperidin-2-yl]methanol?
[1-[(E)-3-chloroprop-2-enyl]-6-methylpiperidin-2-yl]methanol has a molecular weight of 203.71 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(E)-3-chloroprop-2-enyl]-6-methylpiperidin-2-yl]methanol is sourced from PubChem (CID 110017020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).