[1-tert-butyl-4-(4-chlorophenyl)piperidin-4-yl]methanol

C16H24ClNO — CID 121450308

IUPAC[1-tert-butyl-4-(4-chlorophenyl)piperidin-4-yl]methanol
SMILESCC(C)(C)N1CCC(CO)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H24ClNO/c1-15(2,3)18-10-8-16(12-19,9-11-18)13-4-6-14(17)7-5-13/h4-7,19H,8-12H2,1-3H3
InChIKeyDJURASUKJPFKKW-UHFFFAOYSA-N
MW281.83 g/mol
LogP3.46
Rot. Bonds2

About [1-tert-butyl-4-(4-chlorophenyl)piperidin-4-yl]methanol

[1-tert-butyl-4-(4-chlorophenyl)piperidin-4-yl]methanol (PubChem CID 121450308) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is [1-tert-butyl-4-(4-chlorophenyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-tert-butyl-4-(4-chlorophenyl)piperidin-4-yl]methanol
PubChem CID121450308
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name[1-tert-butyl-4-(4-chlorophenyl)piperidin-4-yl]methanol
SMILESCC(C)(C)N1CCC(CO)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H24ClNO/c1-15(2,3)18-10-8-16(12-19,9-11-18)13-4-6-14(17)7-5-13/h4-7,19H,8-12H2,1-3H3
InChIKeyDJURASUKJPFKKW-UHFFFAOYSA-N
XLogP3.46
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-tert-butyl-4-(4-chlorophenyl)piperidin-4-yl]methanol?
The IUPAC name of [1-tert-butyl-4-(4-chlorophenyl)piperidin-4-yl]methanol (CID 121450308) is [1-tert-butyl-4-(4-chlorophenyl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-tert-butyl-4-(4-chlorophenyl)piperidin-4-yl]methanol?
The canonical SMILES for [1-tert-butyl-4-(4-chlorophenyl)piperidin-4-yl]methanol is CC(C)(C)N1CCC(CO)(c2ccc(Cl)cc2)CC1.
What is the InChIKey of [1-tert-butyl-4-(4-chlorophenyl)piperidin-4-yl]methanol?
The InChIKey is DJURASUKJPFKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-15(2,3)18-10-8-16(12-19,9-11-18)13-4-6-14(17)7-5-13/h4-7,19H,8-12H2,1-3H3.
What are the key properties of [1-tert-butyl-4-(4-chlorophenyl)piperidin-4-yl]methanol?
[1-tert-butyl-4-(4-chlorophenyl)piperidin-4-yl]methanol has a molecular weight of 281.83 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-tert-butyl-4-(4-chlorophenyl)piperidin-4-yl]methanol is sourced from PubChem (CID 121450308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).