[1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]methanol

C14H18ClF2NO2 — CID 60670160

IUPAC[1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]methanol
SMILESOCC1CCCN(Cc2cc(Cl)ccc2OC(F)F)C1
InChIInChI=1S/C14H18ClF2NO2/c15-12-3-4-13(20-14(16)17)11(6-12)8-18-5-1-2-10(7-18)9-19/h3-4,6,10,14,19H,1-2,5,7-9H2
InChIKeyPERZQIGYBMQBBS-UHFFFAOYSA-N
MW305.75 g/mol
LogP3.15
Rot. Bonds5

About [1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]methanol

[1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]methanol (PubChem CID 60670160) has the molecular formula C14H18ClF2NO2 and a molecular weight of 305.75 g/mol. Its IUPAC name is [1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]methanol
PubChem CID60670160
Molecular FormulaC14H18ClF2NO2
Molecular Weight305.75 g/mol
Exact Mass305.10
IUPAC Name[1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]methanol
SMILESOCC1CCCN(Cc2cc(Cl)ccc2OC(F)F)C1
InChIInChI=1S/C14H18ClF2NO2/c15-12-3-4-13(20-14(16)17)11(6-12)8-18-5-1-2-10(7-18)9-19/h3-4,6,10,14,19H,1-2,5,7-9H2
InChIKeyPERZQIGYBMQBBS-UHFFFAOYSA-N
XLogP3.15
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.75
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119914801
(9aS)-2-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 124839827
1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 119920229
1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride
CID 119917695
1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1,4-diazepane
CID 43162436
2-[4-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]piperazin-1-yl]ethanol
CID 60669791
3-[(3R)-1-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]propan-1-ol
CID 99943301
[(3S)-1-[(5-chloro-2-ethoxyphenyl)methyl]piperidin-3-yl]methanamine
CID 171625000
2-[1-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728723
2-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]acetic acid
CID 62688742
[(3R)-1-[(3-chlorophenyl)methyl]piperidin-3-yl]methanol
CID 40514299
[1-[[5-(aminomethyl)-2-fluorophenyl]methyl]piperidin-3-yl]methanol
CID 43590160

Frequently Asked Questions

What is the IUPAC name of [1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]methanol (CID 60670160) is [1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]methanol is OCC1CCCN(Cc2cc(Cl)ccc2OC(F)F)C1.
What is the InChIKey of [1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]methanol?
The InChIKey is PERZQIGYBMQBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF2NO2/c15-12-3-4-13(20-14(16)17)11(6-12)8-18-5-1-2-10(7-18)9-19/h3-4,6,10,14,19H,1-2,5,7-9H2.
What are the key properties of [1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]methanol?
[1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]methanol has a molecular weight of 305.75 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 60670160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).