1-[4-(4-chlorophenyl)-4-methylpentan-2-yl]piperidin-4-ol

C17H26ClNO — CID 142475282

IUPAC1-[4-(4-chlorophenyl)-4-methylpentan-2-yl]piperidin-4-ol
SMILESCC(CC(C)(C)c1ccc(Cl)cc1)N1CCC(O)CC1
InChIInChI=1S/C17H26ClNO/c1-13(19-10-8-16(20)9-11-19)12-17(2,3)14-4-6-15(18)7-5-14/h4-7,13,16,20H,8-12H2,1-3H3
InChIKeyBWYUKDNDSYRADV-UHFFFAOYSA-N
MW295.85 g/mol
LogP3.85
Rot. Bonds4

About 1-[4-(4-chlorophenyl)-4-methylpentan-2-yl]piperidin-4-ol

1-[4-(4-chlorophenyl)-4-methylpentan-2-yl]piperidin-4-ol (PubChem CID 142475282) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)-4-methylpentan-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)-4-methylpentan-2-yl]piperidin-4-ol
PubChem CID142475282
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC Name1-[4-(4-chlorophenyl)-4-methylpentan-2-yl]piperidin-4-ol
SMILESCC(CC(C)(C)c1ccc(Cl)cc1)N1CCC(O)CC1
InChIInChI=1S/C17H26ClNO/c1-13(19-10-8-16(20)9-11-19)12-17(2,3)14-4-6-15(18)7-5-14/h4-7,13,16,20H,8-12H2,1-3H3
InChIKeyBWYUKDNDSYRADV-UHFFFAOYSA-N
XLogP3.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)-4-methylpentan-2-yl]piperidin-4-ol?
The IUPAC name of 1-[4-(4-chlorophenyl)-4-methylpentan-2-yl]piperidin-4-ol (CID 142475282) is 1-[4-(4-chlorophenyl)-4-methylpentan-2-yl]piperidin-4-ol.
What is the SMILES notation for 1-[4-(4-chlorophenyl)-4-methylpentan-2-yl]piperidin-4-ol?
The canonical SMILES for 1-[4-(4-chlorophenyl)-4-methylpentan-2-yl]piperidin-4-ol is CC(CC(C)(C)c1ccc(Cl)cc1)N1CCC(O)CC1.
What is the InChIKey of 1-[4-(4-chlorophenyl)-4-methylpentan-2-yl]piperidin-4-ol?
The InChIKey is BWYUKDNDSYRADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c1-13(19-10-8-16(20)9-11-19)12-17(2,3)14-4-6-15(18)7-5-14/h4-7,13,16,20H,8-12H2,1-3H3.
What are the key properties of 1-[4-(4-chlorophenyl)-4-methylpentan-2-yl]piperidin-4-ol?
1-[4-(4-chlorophenyl)-4-methylpentan-2-yl]piperidin-4-ol has a molecular weight of 295.85 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)-4-methylpentan-2-yl]piperidin-4-ol is sourced from PubChem (CID 142475282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).