1-(3-chlorophenyl)-2-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]ethanol

C16H19Cl2N3O — CID 110019592

IUPAC1-(3-chlorophenyl)-2-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]ethanol
SMILESOC(CN1CCC(n2cc(Cl)cn2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C16H19Cl2N3O/c17-13-3-1-2-12(8-13)16(22)11-20-6-4-15(5-7-20)21-10-14(18)9-19-21/h1-3,8-10,15-16,22H,4-7,11H2
InChIKeyUJLSOWWOZWTVDZ-UHFFFAOYSA-N
MW340.25 g/mol
LogP3.56
Rot. Bonds4

About 1-(3-chlorophenyl)-2-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]ethanol

1-(3-chlorophenyl)-2-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]ethanol (PubChem CID 110019592) has the molecular formula C16H19Cl2N3O and a molecular weight of 340.25 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]ethanol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]ethanol
PubChem CID110019592
Molecular FormulaC16H19Cl2N3O
Molecular Weight340.25 g/mol
Exact Mass339.09
IUPAC Name1-(3-chlorophenyl)-2-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]ethanol
SMILESOC(CN1CCC(n2cc(Cl)cn2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C16H19Cl2N3O/c17-13-3-1-2-12(8-13)16(22)11-20-6-4-15(5-7-20)21-10-14(18)9-19-21/h1-3,8-10,15-16,22H,4-7,11H2
InChIKeyUJLSOWWOZWTVDZ-UHFFFAOYSA-N
XLogP3.56
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]ethanol?
The IUPAC name of 1-(3-chlorophenyl)-2-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]ethanol (CID 110019592) is 1-(3-chlorophenyl)-2-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]ethanol.
What is the SMILES notation for 1-(3-chlorophenyl)-2-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]ethanol?
The canonical SMILES for 1-(3-chlorophenyl)-2-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]ethanol is OC(CN1CCC(n2cc(Cl)cn2)CC1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]ethanol?
The InChIKey is UJLSOWWOZWTVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3O/c17-13-3-1-2-12(8-13)16(22)11-20-6-4-15(5-7-20)21-10-14(18)9-19-21/h1-3,8-10,15-16,22H,4-7,11H2.
What are the key properties of 1-(3-chlorophenyl)-2-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]ethanol?
1-(3-chlorophenyl)-2-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]ethanol has a molecular weight of 340.25 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]ethanol is sourced from PubChem (CID 110019592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).