2-[5-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol

C17H21ClFN3O — CID 110913125

IUPAC2-[5-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
SMILESOCCn1nccc1C1CCN(Cc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C17H21ClFN3O/c18-16-11-15(19)2-1-14(16)12-21-7-4-13(5-8-21)17-3-6-20-22(17)9-10-23/h1-3,6,11,13,23H,4-5,7-10,12H2
InChIKeyJNXSHWYFUXDVPO-UHFFFAOYSA-N
MW337.83 g/mol
LogP3.05
Rot. Bonds5

About 2-[5-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol

2-[5-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol (PubChem CID 110913125) has the molecular formula C17H21ClFN3O and a molecular weight of 337.83 g/mol. Its IUPAC name is 2-[5-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
PubChem CID110913125
Molecular FormulaC17H21ClFN3O
Molecular Weight337.83 g/mol
Exact Mass337.14
IUPAC Name2-[5-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
SMILESOCCn1nccc1C1CCN(Cc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C17H21ClFN3O/c18-16-11-15(19)2-1-14(16)12-21-7-4-13(5-8-21)17-3-6-20-22(17)9-10-23/h1-3,6,11,13,23H,4-5,7-10,12H2
InChIKeyJNXSHWYFUXDVPO-UHFFFAOYSA-N
XLogP3.05
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-chloro-4-fluorophenyl)methyl]-4-[2-(1,3-dioxolan-2-yl)ethyl]piperazine
CID 86795518
2-[5-[1-[(1-butyltetrazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
CID 51104580
methyl 3-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]propanoate
CID 110913158
[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 77078802
2-[5-[1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
CID 86877009
2-[5-[1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
CID 110019383
2-[5-[1-[(2-butyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
CID 51104609
1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazole
CID 53443819
4-chloro-1-[(2-chloro-4-fluorophenyl)methyl]-3-methylpiperidine
CID 114682230
1-[(2-chloro-4-fluorophenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine
CID 45366948
1-[(2-chloro-4-fluorophenyl)methyl]-4-pyrrolidin-2-ylpiperidine
CID 63259218
1-[(2-chloro-4-fluorophenyl)methyl]-4-[(3-chlorophenyl)methyl]piperazine
CID 22194447

Frequently Asked Questions

What is the IUPAC name of 2-[5-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol (CID 110913125) is 2-[5-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol is OCCn1nccc1C1CCN(Cc2ccc(F)cc2Cl)CC1.
What is the InChIKey of 2-[5-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol?
The InChIKey is JNXSHWYFUXDVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClFN3O/c18-16-11-15(19)2-1-14(16)12-21-7-4-13(5-8-21)17-3-6-20-22(17)9-10-23/h1-3,6,11,13,23H,4-5,7-10,12H2.
What are the key properties of 2-[5-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol?
2-[5-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol has a molecular weight of 337.83 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 110913125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).