1-[(E)-3-chloroprop-2-enyl]-4-methylpiperidin-4-ol

C9H16ClNO — CID 80706701

IUPAC1-[(E)-3-chloroprop-2-enyl]-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(C/C=C/Cl)CC1
InChIInChI=1S/C9H16ClNO/c1-9(12)3-7-11(8-4-9)6-2-5-10/h2,5,12H,3-4,6-8H2,1H3/b5-2+
InChIKeyJEJQYNCDHFOKHJ-GORDUTHDSA-N
MW189.69 g/mol
LogP1.59
Rot. Bonds2

About 1-[(E)-3-chloroprop-2-enyl]-4-methylpiperidin-4-ol

1-[(E)-3-chloroprop-2-enyl]-4-methylpiperidin-4-ol (PubChem CID 80706701) has the molecular formula C9H16ClNO and a molecular weight of 189.69 g/mol. Its IUPAC name is 1-[(E)-3-chloroprop-2-enyl]-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[(E)-3-chloroprop-2-enyl]-4-methylpiperidin-4-ol
PubChem CID80706701
Molecular FormulaC9H16ClNO
Molecular Weight189.69 g/mol
Exact Mass189.09
IUPAC Name1-[(E)-3-chloroprop-2-enyl]-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(C/C=C/Cl)CC1
InChIInChI=1S/C9H16ClNO/c1-9(12)3-7-11(8-4-9)6-2-5-10/h2,5,12H,3-4,6-8H2,1H3/b5-2+
InChIKeyJEJQYNCDHFOKHJ-GORDUTHDSA-N
XLogP1.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.69
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(E)-3-chloroprop-2-enyl]-4-methylpiperidin-4-ol 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]-4-methylpiperidin-4-ol?
The IUPAC name of 1-[(E)-3-chloroprop-2-enyl]-4-methylpiperidin-4-ol (CID 80706701) is 1-[(E)-3-chloroprop-2-enyl]-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-[(E)-3-chloroprop-2-enyl]-4-methylpiperidin-4-ol?
The canonical SMILES for 1-[(E)-3-chloroprop-2-enyl]-4-methylpiperidin-4-ol is CC1(O)CCN(C/C=C/Cl)CC1.
What is the InChIKey of 1-[(E)-3-chloroprop-2-enyl]-4-methylpiperidin-4-ol?
The InChIKey is JEJQYNCDHFOKHJ-GORDUTHDSA-N. The full InChI is InChI=1S/C9H16ClNO/c1-9(12)3-7-11(8-4-9)6-2-5-10/h2,5,12H,3-4,6-8H2,1H3/b5-2+.
What are the key properties of 1-[(E)-3-chloroprop-2-enyl]-4-methylpiperidin-4-ol?
1-[(E)-3-chloroprop-2-enyl]-4-methylpiperidin-4-ol has a molecular weight of 189.69 g/mol, XLogP of 1.59, 2 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]-4-methylpiperidin-4-ol is sourced from PubChem (CID 80706701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).