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

C9H15ClFNO — CID 130616482

IUPAC[1-(2-chloroprop-2-enyl)-3-fluoropiperidin-3-yl]methanol
SMILESC=C(Cl)CN1CCCC(F)(CO)C1
InChIInChI=1S/C9H15ClFNO/c1-8(10)5-12-4-2-3-9(11,6-12)7-13/h13H,1-7H2
InChIKeyZDRKKTPDEMJORN-UHFFFAOYSA-N
MW207.68 g/mol
LogP1.54
Rot. Bonds3

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

[1-(2-chloroprop-2-enyl)-3-fluoropiperidin-3-yl]methanol (PubChem CID 130616482) has the molecular formula C9H15ClFNO and a molecular weight of 207.68 g/mol. Its IUPAC name is [1-(2-chloroprop-2-enyl)-3-fluoropiperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(2-chloroprop-2-enyl)-3-fluoropiperidin-3-yl]methanol
PubChem CID130616482
Molecular FormulaC9H15ClFNO
Molecular Weight207.68 g/mol
Exact Mass207.08
IUPAC Name[1-(2-chloroprop-2-enyl)-3-fluoropiperidin-3-yl]methanol
SMILESC=C(Cl)CN1CCCC(F)(CO)C1
InChIInChI=1S/C9H15ClFNO/c1-8(10)5-12-4-2-3-9(11,6-12)7-13/h13H,1-7H2
InChIKeyZDRKKTPDEMJORN-UHFFFAOYSA-N
XLogP1.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.68
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2-chloroprop-2-enyl)-6-azaspiro[3.5]nonane
CID 130636839
[1-(cyclopropylmethyl)-3-fluoropiperidin-3-yl]methanol
CID 130666200
(3-fluoro-1-prop-2-ynylpiperidin-3-yl)methanol
CID 126996469
1-(2-chloroprop-2-enyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63148411
methyl 3-fluoro-3-(hydroxymethyl)piperidine-1-carboxylate
CID 130711152
4-(2-chloroprop-2-enyl)-2,2-dimethylthiomorpholine
CID 130739907
[1-(2-chloroprop-2-enyl)azepan-4-yl]methanol
CID 130758179
[1-(4-aminophenyl)-3-fluoropiperidin-3-yl]methanol
CID 140572184
[3-fluoro-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidin-3-yl]methanol
CID 130719897
[1-[(4-cyclopentylphenyl)methyl]-3-fluoropyrrolidin-3-yl]methanol
CID 126813375
1-(2-chloroprop-2-enyl)-4-methylazepane
CID 130709084
1-[2-(chloromethyl)prop-2-enyl]-3,3-difluoropyrrolidine
CID 130704966

Frequently Asked Questions

What is the IUPAC name of [1-(2-chloroprop-2-enyl)-3-fluoropiperidin-3-yl]methanol?
The IUPAC name of [1-(2-chloroprop-2-enyl)-3-fluoropiperidin-3-yl]methanol (CID 130616482) is [1-(2-chloroprop-2-enyl)-3-fluoropiperidin-3-yl]methanol.
What is the SMILES notation for [1-(2-chloroprop-2-enyl)-3-fluoropiperidin-3-yl]methanol?
The canonical SMILES for [1-(2-chloroprop-2-enyl)-3-fluoropiperidin-3-yl]methanol is C=C(Cl)CN1CCCC(F)(CO)C1.
What is the InChIKey of [1-(2-chloroprop-2-enyl)-3-fluoropiperidin-3-yl]methanol?
The InChIKey is ZDRKKTPDEMJORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClFNO/c1-8(10)5-12-4-2-3-9(11,6-12)7-13/h13H,1-7H2.
What are the key properties of [1-(2-chloroprop-2-enyl)-3-fluoropiperidin-3-yl]methanol?
[1-(2-chloroprop-2-enyl)-3-fluoropiperidin-3-yl]methanol has a molecular weight of 207.68 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloroprop-2-enyl)-3-fluoropiperidin-3-yl]methanol is sourced from PubChem (CID 130616482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).