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

C18H28ClNO — CID 142475262

IUPAC1-[4-(4-chlorophenyl)-4-methylpentan-2-yl]-4-methylpiperidin-4-ol
SMILESCC(CC(C)(C)c1ccc(Cl)cc1)N1CCC(C)(O)CC1
InChIInChI=1S/C18H28ClNO/c1-14(20-11-9-18(4,21)10-12-20)13-17(2,3)15-5-7-16(19)8-6-15/h5-8,14,21H,9-13H2,1-4H3
InChIKeyOHSOKCIPPDJPCI-UHFFFAOYSA-N
MW309.88 g/mol
LogP4.24
Rot. Bonds4

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

1-[4-(4-chlorophenyl)-4-methylpentan-2-yl]-4-methylpiperidin-4-ol (PubChem CID 142475262) has the molecular formula C18H28ClNO and a molecular weight of 309.88 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)-4-methylpentan-2-yl]-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)-4-methylpentan-2-yl]-4-methylpiperidin-4-ol
PubChem CID142475262
Molecular FormulaC18H28ClNO
Molecular Weight309.88 g/mol
Exact Mass309.19
IUPAC Name1-[4-(4-chlorophenyl)-4-methylpentan-2-yl]-4-methylpiperidin-4-ol
SMILESCC(CC(C)(C)c1ccc(Cl)cc1)N1CCC(C)(O)CC1
InChIInChI=1S/C18H28ClNO/c1-14(20-11-9-18(4,21)10-12-20)13-17(2,3)15-5-7-16(19)8-6-15/h5-8,14,21H,9-13H2,1-4H3
InChIKeyOHSOKCIPPDJPCI-UHFFFAOYSA-N
XLogP4.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.88
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[4-(4-chlorophenyl)-4-methylpentan-2-yl]-4-methylpiperidin-4-ol with MolForge

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Related Compounds

4-Piperidinol, 4-(t-butyl)-1-((10,11-dihydro-2-chloro-5H-dibenzo(a,d)cyclohepten-5-yl)methyl)-, hydrochloride, (+-)-
CID 3060732
(2S,7R,9aR)-2-tert-butyl-7-(2,4-dichlorophenyl)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ol;hydrochloride
CID 22813185
(2S,7R,9aR)-2-tert-butyl-7-(2-chlorophenyl)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ol
CID 44293995
(2S,7R,9aR)-2-tert-butyl-7-(4-chlorophenyl)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ol;hydrochloride
CID 45264421
US11214540, Example 55
CID 142475074
US11214540, Example 5
CID 142475100
US11214540, Example 16
CID 142475102
US11214540, Example 20
CID 142475282
US11214540, Example 8
CID 142475437
US11214540, Example 10
CID 142475439
US11214540, Example 23
CID 142475059
US11214540, Example 73
CID 142475127

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)-4-methylpentan-2-yl]-4-methylpiperidin-4-ol?
The IUPAC name of 1-[4-(4-chlorophenyl)-4-methylpentan-2-yl]-4-methylpiperidin-4-ol (CID 142475262) is 1-[4-(4-chlorophenyl)-4-methylpentan-2-yl]-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-[4-(4-chlorophenyl)-4-methylpentan-2-yl]-4-methylpiperidin-4-ol?
The canonical SMILES for 1-[4-(4-chlorophenyl)-4-methylpentan-2-yl]-4-methylpiperidin-4-ol is CC(CC(C)(C)c1ccc(Cl)cc1)N1CCC(C)(O)CC1.
What is the InChIKey of 1-[4-(4-chlorophenyl)-4-methylpentan-2-yl]-4-methylpiperidin-4-ol?
The InChIKey is OHSOKCIPPDJPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClNO/c1-14(20-11-9-18(4,21)10-12-20)13-17(2,3)15-5-7-16(19)8-6-15/h5-8,14,21H,9-13H2,1-4H3.
What are the key properties of 1-[4-(4-chlorophenyl)-4-methylpentan-2-yl]-4-methylpiperidin-4-ol?
1-[4-(4-chlorophenyl)-4-methylpentan-2-yl]-4-methylpiperidin-4-ol has a molecular weight of 309.88 g/mol, XLogP of 4.24, 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]-4-methylpiperidin-4-ol is sourced from PubChem (CID 142475262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).