4-(4-chlorophenyl)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidin-4-ol

C18H24ClN3O — CID 118785818

IUPAC4-(4-chlorophenyl)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidin-4-ol
SMILESCc1n[nH]c(C)c1CCN1CCC(O)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H24ClN3O/c1-13-17(14(2)21-20-13)7-10-22-11-8-18(23,9-12-22)15-3-5-16(19)6-4-15/h3-6,23H,7-12H2,1-2H3,(H,20,21)
InChIKeyVPFWOOJGQOQRID-UHFFFAOYSA-N
MW333.86 g/mol
LogP3.21
Rot. Bonds4

About 4-(4-chlorophenyl)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidin-4-ol

4-(4-chlorophenyl)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidin-4-ol (PubChem CID 118785818) has the molecular formula C18H24ClN3O and a molecular weight of 333.86 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidin-4-ol
PubChem CID118785818
Molecular FormulaC18H24ClN3O
Molecular Weight333.86 g/mol
Exact Mass333.16
IUPAC Name4-(4-chlorophenyl)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidin-4-ol
SMILESCc1n[nH]c(C)c1CCN1CCC(O)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H24ClN3O/c1-13-17(14(2)21-20-13)7-10-22-11-8-18(23,9-12-22)15-3-5-16(19)6-4-15/h3-6,23H,7-12H2,1-2H3,(H,20,21)
InChIKeyVPFWOOJGQOQRID-UHFFFAOYSA-N
XLogP3.21
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidin-4-ol?
The IUPAC name of 4-(4-chlorophenyl)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidin-4-ol (CID 118785818) is 4-(4-chlorophenyl)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidin-4-ol.
What is the SMILES notation for 4-(4-chlorophenyl)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidin-4-ol?
The canonical SMILES for 4-(4-chlorophenyl)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidin-4-ol is Cc1n[nH]c(C)c1CCN1CCC(O)(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidin-4-ol?
The InChIKey is VPFWOOJGQOQRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O/c1-13-17(14(2)21-20-13)7-10-22-11-8-18(23,9-12-22)15-3-5-16(19)6-4-15/h3-6,23H,7-12H2,1-2H3,(H,20,21).
What are the key properties of 4-(4-chlorophenyl)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidin-4-ol?
4-(4-chlorophenyl)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidin-4-ol has a molecular weight of 333.86 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidin-4-ol is sourced from PubChem (CID 118785818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).