(4-chloro-2-fluorophenyl)-(4-ethylpiperidin-2-yl)methanol

C14H19ClFNO — CID 114852894

IUPAC(4-chloro-2-fluorophenyl)-(4-ethylpiperidin-2-yl)methanol
SMILESCCC1CCNC(C(O)c2ccc(Cl)cc2F)C1
InChIInChI=1S/C14H19ClFNO/c1-2-9-5-6-17-13(7-9)14(18)11-4-3-10(15)8-12(11)16/h3-4,8-9,13-14,17-18H,2,5-7H2,1H3
InChIKeyRTXKXOZSYZCWLT-UHFFFAOYSA-N
MW271.76 g/mol
LogP3.29
Rot. Bonds3

About (4-chloro-2-fluorophenyl)-(4-ethylpiperidin-2-yl)methanol

(4-chloro-2-fluorophenyl)-(4-ethylpiperidin-2-yl)methanol (PubChem CID 114852894) has the molecular formula C14H19ClFNO and a molecular weight of 271.76 g/mol. Its IUPAC name is (4-chloro-2-fluorophenyl)-(4-ethylpiperidin-2-yl)methanol.

Molecular Properties

Compound Name(4-chloro-2-fluorophenyl)-(4-ethylpiperidin-2-yl)methanol
PubChem CID114852894
Molecular FormulaC14H19ClFNO
Molecular Weight271.76 g/mol
Exact Mass271.11
IUPAC Name(4-chloro-2-fluorophenyl)-(4-ethylpiperidin-2-yl)methanol
SMILESCCC1CCNC(C(O)c2ccc(Cl)cc2F)C1
InChIInChI=1S/C14H19ClFNO/c1-2-9-5-6-17-13(7-9)14(18)11-4-3-10(15)8-12(11)16/h3-4,8-9,13-14,17-18H,2,5-7H2,1H3
InChIKeyRTXKXOZSYZCWLT-UHFFFAOYSA-N
XLogP3.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.76
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-5-chlorophenyl)-(4-ethylpiperidin-2-yl)methanol
CID 66156284
[4-(difluoromethyl)phenyl]-(4-ethylpiperidin-2-yl)methanol
CID 115525040
1-(2,4-dichlorophenyl)-2-(4-ethylpiperidin-2-yl)ethanol
CID 114426133
1-(3-chloro-4-fluorophenyl)-2-(4-ethylpiperidin-2-yl)ethanol
CID 114426131
(3-cyclopropylimidazol-4-yl)-(4-ethylpiperidin-2-yl)methanol
CID 66140858
1-(4-chloro-2-fluorophenyl)-2-cyclohexylethanol
CID 63083124
2-[2-(2,5-dichlorophenyl)ethyl]-4-ethylpiperidine
CID 114426169
1-(4-chloro-2-fluorophenyl)-3,3-dimethylbutane-1,2-diol
CID 103457370
3-chloro-4-[hydroxy(piperidin-2-yl)methyl]phenol;(2-fluorophenyl)-piperidin-2-ylmethanol
CID 158994486
(4-ethylcyclohexyl)-(2-fluoro-4-methoxyphenyl)methanol
CID 81304806
2-butan-2-yl-4-ethylpiperidine
CID 79444187
2-(4-chloro-2-fluorophenyl)azetidine
CID 55271192

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-fluorophenyl)-(4-ethylpiperidin-2-yl)methanol?
The IUPAC name of (4-chloro-2-fluorophenyl)-(4-ethylpiperidin-2-yl)methanol (CID 114852894) is (4-chloro-2-fluorophenyl)-(4-ethylpiperidin-2-yl)methanol.
What is the SMILES notation for (4-chloro-2-fluorophenyl)-(4-ethylpiperidin-2-yl)methanol?
The canonical SMILES for (4-chloro-2-fluorophenyl)-(4-ethylpiperidin-2-yl)methanol is CCC1CCNC(C(O)c2ccc(Cl)cc2F)C1.
What is the InChIKey of (4-chloro-2-fluorophenyl)-(4-ethylpiperidin-2-yl)methanol?
The InChIKey is RTXKXOZSYZCWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO/c1-2-9-5-6-17-13(7-9)14(18)11-4-3-10(15)8-12(11)16/h3-4,8-9,13-14,17-18H,2,5-7H2,1H3.
What are the key properties of (4-chloro-2-fluorophenyl)-(4-ethylpiperidin-2-yl)methanol?
(4-chloro-2-fluorophenyl)-(4-ethylpiperidin-2-yl)methanol has a molecular weight of 271.76 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-fluorophenyl)-(4-ethylpiperidin-2-yl)methanol is sourced from PubChem (CID 114852894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).