1-[1-(2-chloroprop-2-enyl)piperidin-2-yl]propan-2-ol

C11H20ClNO — CID 114338299

IUPAC1-[1-(2-chloroprop-2-enyl)piperidin-2-yl]propan-2-ol
SMILESC=C(Cl)CN1CCCCC1CC(C)O
InChIInChI=1S/C11H20ClNO/c1-9(12)8-13-6-4-3-5-11(13)7-10(2)14/h10-11,14H,1,3-8H2,2H3
InChIKeyTYDTWVQOTATCKU-UHFFFAOYSA-N
MW217.74 g/mol
LogP2.36
Rot. Bonds4

About 1-[1-(2-chloroprop-2-enyl)piperidin-2-yl]propan-2-ol

1-[1-(2-chloroprop-2-enyl)piperidin-2-yl]propan-2-ol (PubChem CID 114338299) has the molecular formula C11H20ClNO and a molecular weight of 217.74 g/mol. Its IUPAC name is 1-[1-(2-chloroprop-2-enyl)piperidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-(2-chloroprop-2-enyl)piperidin-2-yl]propan-2-ol
PubChem CID114338299
Molecular FormulaC11H20ClNO
Molecular Weight217.74 g/mol
Exact Mass217.12
IUPAC Name1-[1-(2-chloroprop-2-enyl)piperidin-2-yl]propan-2-ol
SMILESC=C(Cl)CN1CCCCC1CC(C)O
InChIInChI=1S/C11H20ClNO/c1-9(12)8-13-6-4-3-5-11(13)7-10(2)14/h10-11,14H,1,3-8H2,2H3
InChIKeyTYDTWVQOTATCKU-UHFFFAOYSA-N
XLogP2.36
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.74
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[1-(2-chloroprop-2-enyl)piperidin-2-yl]propan-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

1-[1-(2-Chloroprop-2-enyl)piperidin-2-yl]ethanol
CID 53599599
2-[1-(2-Chloroprop-2-enyl)piperidin-2-yl]ethanol
CID 60346184
2-[1-[(E)-3-chloroprop-2-enyl]piperidin-2-yl]ethanol
CID 60596917
8-(2-Chloroprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 63769767
1-[1-(2-Chloroprop-2-enyl)piperidin-2-yl]propan-1-ol
CID 72004407
2-[1-(3-Chloroprop-2-enyl)piperidin-2-yl]ethanol
CID 76871555
2-[1-(2,3-Dichloroprop-2-enyl)piperidin-2-yl]ethanol
CID 79173594
(1S)-1-[(2S)-1-(2-chloroprop-2-enyl)piperidin-2-yl]ethanol
CID 95321484
(1R)-1-[(2S)-1-(2-chloroprop-2-enyl)piperidin-2-yl]ethanol
CID 95321485
(1S)-1-[(2R)-1-(2-chloroprop-2-enyl)piperidin-2-yl]ethanol
CID 95321486
(1R)-1-[(2R)-1-(2-chloroprop-2-enyl)piperidin-2-yl]ethanol
CID 95321487
(1S)-1-[(2S)-1-(2-chloroprop-2-enyl)piperidin-2-yl]propan-1-ol
CID 96159407

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chloroprop-2-enyl)piperidin-2-yl]propan-2-ol?
The IUPAC name of 1-[1-(2-chloroprop-2-enyl)piperidin-2-yl]propan-2-ol (CID 114338299) is 1-[1-(2-chloroprop-2-enyl)piperidin-2-yl]propan-2-ol.
What is the SMILES notation for 1-[1-(2-chloroprop-2-enyl)piperidin-2-yl]propan-2-ol?
The canonical SMILES for 1-[1-(2-chloroprop-2-enyl)piperidin-2-yl]propan-2-ol is C=C(Cl)CN1CCCCC1CC(C)O.
What is the InChIKey of 1-[1-(2-chloroprop-2-enyl)piperidin-2-yl]propan-2-ol?
The InChIKey is TYDTWVQOTATCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO/c1-9(12)8-13-6-4-3-5-11(13)7-10(2)14/h10-11,14H,1,3-8H2,2H3.
What are the key properties of 1-[1-(2-chloroprop-2-enyl)piperidin-2-yl]propan-2-ol?
1-[1-(2-chloroprop-2-enyl)piperidin-2-yl]propan-2-ol has a molecular weight of 217.74 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chloroprop-2-enyl)piperidin-2-yl]propan-2-ol is sourced from PubChem (CID 114338299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).