[1-[(5-chloro-2-fluorophenyl)methyl]piperidin-2-yl]methanol

C13H17ClFNO — CID 103881513

IUPAC[1-[(5-chloro-2-fluorophenyl)methyl]piperidin-2-yl]methanol
SMILESOCC1CCCCN1Cc1cc(Cl)ccc1F
InChIInChI=1S/C13H17ClFNO/c14-11-4-5-13(15)10(7-11)8-16-6-2-1-3-12(16)9-17/h4-5,7,12,17H,1-3,6,8-9H2
InChIKeyIWMNRRLMSNCWSG-UHFFFAOYSA-N
MW257.74 g/mol
LogP2.83
Rot. Bonds3

About [1-[(5-chloro-2-fluorophenyl)methyl]piperidin-2-yl]methanol

[1-[(5-chloro-2-fluorophenyl)methyl]piperidin-2-yl]methanol (PubChem CID 103881513) has the molecular formula C13H17ClFNO and a molecular weight of 257.74 g/mol. Its IUPAC name is [1-[(5-chloro-2-fluorophenyl)methyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[(5-chloro-2-fluorophenyl)methyl]piperidin-2-yl]methanol
PubChem CID103881513
Molecular FormulaC13H17ClFNO
Molecular Weight257.74 g/mol
Exact Mass257.10
IUPAC Name[1-[(5-chloro-2-fluorophenyl)methyl]piperidin-2-yl]methanol
SMILESOCC1CCCCN1Cc1cc(Cl)ccc1F
InChIInChI=1S/C13H17ClFNO/c14-11-4-5-13(15)10(7-11)8-16-6-2-1-3-12(16)9-17/h4-5,7,12,17H,1-3,6,8-9H2
InChIKeyIWMNRRLMSNCWSG-UHFFFAOYSA-N
XLogP2.83
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.74
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]methanol
CID 86329631
2-(2-chloroethyl)-1-[(5-chloro-2-fluorophenyl)methyl]piperidine
CID 103049964
[1-[(2,4-dichlorophenyl)methyl]azepan-2-yl]methanol
CID 116637812
[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methanol
CID 65321311
1-[1-[(5-chloro-2-fluorophenyl)methyl]azepan-2-yl]propan-2-one
CID 103046626
2-[1-[(5-chloro-2-fluorophenyl)methyl]pyrrolidin-2-yl]acetic acid
CID 114866950
[(2R)-1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 62733109
[1-[(4-bromo-2-fluorophenyl)methyl]piperidin-2-yl]methanol
CID 60684893
[1-[(2,3-difluorophenyl)methyl]piperidin-2-yl]methanol
CID 60968324
[1-[[4-(aminomethyl)-2-fluorophenyl]methyl]azepan-2-yl]methanol
CID 116634283
6-chloro-3-[[2-(hydroxymethyl)piperidin-1-yl]methyl]chromen-4-one
CID 2845997
[(2S)-1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]methanamine
CID 86329767

Frequently Asked Questions

What is the IUPAC name of [1-[(5-chloro-2-fluorophenyl)methyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[(5-chloro-2-fluorophenyl)methyl]piperidin-2-yl]methanol (CID 103881513) is [1-[(5-chloro-2-fluorophenyl)methyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[(5-chloro-2-fluorophenyl)methyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[(5-chloro-2-fluorophenyl)methyl]piperidin-2-yl]methanol is OCC1CCCCN1Cc1cc(Cl)ccc1F.
What is the InChIKey of [1-[(5-chloro-2-fluorophenyl)methyl]piperidin-2-yl]methanol?
The InChIKey is IWMNRRLMSNCWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO/c14-11-4-5-13(15)10(7-11)8-16-6-2-1-3-12(16)9-17/h4-5,7,12,17H,1-3,6,8-9H2.
What are the key properties of [1-[(5-chloro-2-fluorophenyl)methyl]piperidin-2-yl]methanol?
[1-[(5-chloro-2-fluorophenyl)methyl]piperidin-2-yl]methanol has a molecular weight of 257.74 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-chloro-2-fluorophenyl)methyl]piperidin-2-yl]methanol is sourced from PubChem (CID 103881513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).