[4-(4-chlorophenyl)-1-propan-2-ylpiperidin-4-yl]methanol

C15H22ClNO — CID 134370434

IUPAC[4-(4-chlorophenyl)-1-propan-2-ylpiperidin-4-yl]methanol
SMILESCC(C)N1CCC(CO)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H22ClNO/c1-12(2)17-9-7-15(11-18,8-10-17)13-3-5-14(16)6-4-13/h3-6,12,18H,7-11H2,1-2H3
InChIKeyINZGUVKPIYKOTQ-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.07
Rot. Bonds3

About [4-(4-chlorophenyl)-1-propan-2-ylpiperidin-4-yl]methanol

[4-(4-chlorophenyl)-1-propan-2-ylpiperidin-4-yl]methanol (PubChem CID 134370434) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is [4-(4-chlorophenyl)-1-propan-2-ylpiperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-(4-chlorophenyl)-1-propan-2-ylpiperidin-4-yl]methanol
PubChem CID134370434
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name[4-(4-chlorophenyl)-1-propan-2-ylpiperidin-4-yl]methanol
SMILESCC(C)N1CCC(CO)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H22ClNO/c1-12(2)17-9-7-15(11-18,8-10-17)13-3-5-14(16)6-4-13/h3-6,12,18H,7-11H2,1-2H3
InChIKeyINZGUVKPIYKOTQ-UHFFFAOYSA-N
XLogP3.07
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)-1-propan-2-ylpiperidin-4-yl]methanol?
The IUPAC name of [4-(4-chlorophenyl)-1-propan-2-ylpiperidin-4-yl]methanol (CID 134370434) is [4-(4-chlorophenyl)-1-propan-2-ylpiperidin-4-yl]methanol.
What is the SMILES notation for [4-(4-chlorophenyl)-1-propan-2-ylpiperidin-4-yl]methanol?
The canonical SMILES for [4-(4-chlorophenyl)-1-propan-2-ylpiperidin-4-yl]methanol is CC(C)N1CCC(CO)(c2ccc(Cl)cc2)CC1.
What is the InChIKey of [4-(4-chlorophenyl)-1-propan-2-ylpiperidin-4-yl]methanol?
The InChIKey is INZGUVKPIYKOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-12(2)17-9-7-15(11-18,8-10-17)13-3-5-14(16)6-4-13/h3-6,12,18H,7-11H2,1-2H3.
What are the key properties of [4-(4-chlorophenyl)-1-propan-2-ylpiperidin-4-yl]methanol?
[4-(4-chlorophenyl)-1-propan-2-ylpiperidin-4-yl]methanol has a molecular weight of 267.80 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)-1-propan-2-ylpiperidin-4-yl]methanol is sourced from PubChem (CID 134370434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).