2-[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-4-yl]ethanol

C14H19ClFNO — CID 10492368

IUPAC2-[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-4-yl]ethanol
SMILESOCCC1CCN(Cc2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C14H19ClFNO/c15-13-9-12(1-2-14(13)16)10-17-6-3-11(4-7-17)5-8-18/h1-2,9,11,18H,3-8,10H2
InChIKeyWFXPAYNMFCMGBU-UHFFFAOYSA-N
MW271.76 g/mol
LogP3.07
Rot. Bonds4

About 2-[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-4-yl]ethanol

2-[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-4-yl]ethanol (PubChem CID 10492368) has the molecular formula C14H19ClFNO and a molecular weight of 271.76 g/mol. Its IUPAC name is 2-[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-4-yl]ethanol
PubChem CID10492368
Molecular FormulaC14H19ClFNO
Molecular Weight271.76 g/mol
Exact Mass271.11
IUPAC Name2-[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-4-yl]ethanol
SMILESOCCC1CCN(Cc2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C14H19ClFNO/c15-13-9-12(1-2-14(13)16)10-17-6-3-11(4-7-17)5-8-18/h1-2,9,11,18H,3-8,10H2
InChIKeyWFXPAYNMFCMGBU-UHFFFAOYSA-N
XLogP3.07
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.76
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-Benzylpiperidin-3-yl)methanol
CID 10398044
[1-(2-Chloro-4-fluorobenzyl)-3-(4-fluorobenzyl)-3-piperidinyl]methanol
CID 23723479
[1-(4-Chlorobenzyl)-3-(2,4-difluorobenzyl)-3-piperidinyl]methanol
CID 23723640
2-[4-(2-Chloro-6-fluorobenzyl)-1-isobutyl-2-piperazinyl]ethanol
CID 16190088
2-[4-(2-Chloro-4-fluorobenzyl)-1-isobutyl-2-piperazinyl]ethanol
CID 16190246
2-[4-(2-Chloro-6-fluorobenzyl)-1-(3-methylbutyl)-2-piperazinyl]ethanol
CID 16192468
2-[(3-Chlorobenzyl)(propyl)amino]ethanol
CID 783033
[3-(3-Chlorobenzyl)-1-(3,4-difluorobenzyl)-3-piperidinyl]methanol
CID 23724054
[8-(3-Chloro-4-fluorobenzyl)-2-methyl-2,8-diazaspiro[4.5]dec-4-yl]methyl methyl ether
CID 91922082
[1-(3,4-Dichloro-benzyl)-piperidin-3-yl]-methanol
CID 18933356
1-[(4-Chlorophenyl)methyl]-3-piperidinol
CID 24904912
2-(1-Benzylpiperidin-4-yl)ethanol
CID 2725029

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-4-yl]ethanol?
The IUPAC name of 2-[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-4-yl]ethanol (CID 10492368) is 2-[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-4-yl]ethanol.
What is the SMILES notation for 2-[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-4-yl]ethanol?
The canonical SMILES for 2-[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-4-yl]ethanol is OCCC1CCN(Cc2ccc(F)c(Cl)c2)CC1.
What is the InChIKey of 2-[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-4-yl]ethanol?
The InChIKey is WFXPAYNMFCMGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO/c15-13-9-12(1-2-14(13)16)10-17-6-3-11(4-7-17)5-8-18/h1-2,9,11,18H,3-8,10H2.
What are the key properties of 2-[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-4-yl]ethanol?
2-[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-4-yl]ethanol has a molecular weight of 271.76 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 10492368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).