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

C9H16ClNO — CID 61355740

IUPAC[1-[(E)-3-chloroprop-2-enyl]piperidin-2-yl]methanol
SMILESOCC1CCCCN1C/C=C/Cl
InChIInChI=1S/C9H16ClNO/c10-5-3-7-11-6-2-1-4-9(11)8-12/h3,5,9,12H,1-2,4,6-8H2/b5-3+
InChIKeyWOLIAPKEMDYQDI-HWKANZROSA-N
MW189.69 g/mol
LogP1.59
Rot. Bonds3

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

[1-[(E)-3-chloroprop-2-enyl]piperidin-2-yl]methanol (PubChem CID 61355740) has the molecular formula C9H16ClNO and a molecular weight of 189.69 g/mol. Its IUPAC name is [1-[(E)-3-chloroprop-2-enyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[(E)-3-chloroprop-2-enyl]piperidin-2-yl]methanol
PubChem CID61355740
Molecular FormulaC9H16ClNO
Molecular Weight189.69 g/mol
Exact Mass189.09
IUPAC Name[1-[(E)-3-chloroprop-2-enyl]piperidin-2-yl]methanol
SMILESOCC1CCCCN1C/C=C/Cl
InChIInChI=1S/C9H16ClNO/c10-5-3-7-11-6-2-1-4-9(11)8-12/h3,5,9,12H,1-2,4,6-8H2/b5-3+
InChIKeyWOLIAPKEMDYQDI-HWKANZROSA-N
XLogP1.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

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Related Compounds

(1-Prop-2-enylpiperidin-2-yl)methanol
CID 58550098
[(2S)-1-(3-chloropropyl)piperidin-2-yl]methanol
CID 124424049
1-[1-(2-Chloroprop-2-enyl)piperidin-2-yl]ethanol
CID 53599599
2-[1-[(E)-3-chloroprop-2-enyl]piperidin-2-yl]ethanol
CID 60596917
[1-(2-Chloroprop-2-enyl)piperidin-2-yl]methanol
CID 60685107
[1-(2-Chloroethyl)piperidin-2-yl]methanol
CID 61407785
[1-(3-Chloropropyl)piperidin-2-yl]methanol
CID 61407786
(1-But-3-en-2-ylpiperidin-2-yl)methanol
CID 61517475
2-[[(E)-3-chloroprop-2-enyl]-cyclohexylamino]ethanol
CID 62015822
(1-But-3-enylpiperidin-2-yl)methanol
CID 64300255
2-[1-(3-Chloroprop-2-enyl)piperidin-2-yl]ethanol
CID 76871555
[1-(3-Chloroprop-2-enyl)piperidin-2-yl]methanol
CID 76898311

Frequently Asked Questions

What is the IUPAC name of [1-[(E)-3-chloroprop-2-enyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[(E)-3-chloroprop-2-enyl]piperidin-2-yl]methanol (CID 61355740) is [1-[(E)-3-chloroprop-2-enyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[(E)-3-chloroprop-2-enyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[(E)-3-chloroprop-2-enyl]piperidin-2-yl]methanol is OCC1CCCCN1C/C=C/Cl.
What is the InChIKey of [1-[(E)-3-chloroprop-2-enyl]piperidin-2-yl]methanol?
The InChIKey is WOLIAPKEMDYQDI-HWKANZROSA-N. The full InChI is InChI=1S/C9H16ClNO/c10-5-3-7-11-6-2-1-4-9(11)8-12/h3,5,9,12H,1-2,4,6-8H2/b5-3+.
What are the key properties of [1-[(E)-3-chloroprop-2-enyl]piperidin-2-yl]methanol?
[1-[(E)-3-chloroprop-2-enyl]piperidin-2-yl]methanol has a molecular weight of 189.69 g/mol, XLogP of 1.59, 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]piperidin-2-yl]methanol is sourced from PubChem (CID 61355740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).