2-(6-methylpiperidin-2-yl)-1-[4-(2-methylpropyl)phenyl]ethanol

C18H29NO — CID 116685555

IUPAC2-(6-methylpiperidin-2-yl)-1-[4-(2-methylpropyl)phenyl]ethanol
SMILESCC(C)Cc1ccc(C(O)CC2CCCC(C)N2)cc1
InChIInChI=1S/C18H29NO/c1-13(2)11-15-7-9-16(10-8-15)18(20)12-17-6-4-5-14(3)19-17/h7-10,13-14,17-20H,4-6,11-12H2,1-3H3
InChIKeyAIXDWEMHVZDBGS-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.84
Rot. Bonds5

About 2-(6-methylpiperidin-2-yl)-1-[4-(2-methylpropyl)phenyl]ethanol

2-(6-methylpiperidin-2-yl)-1-[4-(2-methylpropyl)phenyl]ethanol (PubChem CID 116685555) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-(6-methylpiperidin-2-yl)-1-[4-(2-methylpropyl)phenyl]ethanol.

Molecular Properties

Compound Name2-(6-methylpiperidin-2-yl)-1-[4-(2-methylpropyl)phenyl]ethanol
PubChem CID116685555
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-(6-methylpiperidin-2-yl)-1-[4-(2-methylpropyl)phenyl]ethanol
SMILESCC(C)Cc1ccc(C(O)CC2CCCC(C)N2)cc1
InChIInChI=1S/C18H29NO/c1-13(2)11-15-7-9-16(10-8-15)18(20)12-17-6-4-5-14(3)19-17/h7-10,13-14,17-20H,4-6,11-12H2,1-3H3
InChIKeyAIXDWEMHVZDBGS-UHFFFAOYSA-N
XLogP3.84
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-methylmorpholin-3-yl)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 116685478
1-(3-chloro-4-fluorophenyl)-2-(6-methylpiperidin-2-yl)ethanol
CID 116685744
1-(3-chlorophenyl)-2-(6-methylpiperidin-2-yl)ethanol
CID 116685542
cyclobutyl-[4-(2-methylpropyl)phenyl]methanol
CID 61099131
(2S)-1-[(2S,6R)-6-methylpiperidin-2-yl]propan-2-ol
CID 10866594
2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 102894005
2-(6-methylpiperidin-2-yl)-1-thiophen-2-ylethanol
CID 116685593
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 115561346
3-cyclopentyl-1-[4-(2-methylpropyl)phenyl]propan-1-ol
CID 63427885
1-(4-ethylphenyl)-2-pyrrolidin-2-ylethanol
CID 79559738
2-cycloheptyloxy-1-[4-(2-methylpropyl)phenyl]ethanol
CID 63466664
2-(6-methylpiperidin-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 116685748

Frequently Asked Questions

What is the IUPAC name of 2-(6-methylpiperidin-2-yl)-1-[4-(2-methylpropyl)phenyl]ethanol?
The IUPAC name of 2-(6-methylpiperidin-2-yl)-1-[4-(2-methylpropyl)phenyl]ethanol (CID 116685555) is 2-(6-methylpiperidin-2-yl)-1-[4-(2-methylpropyl)phenyl]ethanol.
What is the SMILES notation for 2-(6-methylpiperidin-2-yl)-1-[4-(2-methylpropyl)phenyl]ethanol?
The canonical SMILES for 2-(6-methylpiperidin-2-yl)-1-[4-(2-methylpropyl)phenyl]ethanol is CC(C)Cc1ccc(C(O)CC2CCCC(C)N2)cc1.
What is the InChIKey of 2-(6-methylpiperidin-2-yl)-1-[4-(2-methylpropyl)phenyl]ethanol?
The InChIKey is AIXDWEMHVZDBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-13(2)11-15-7-9-16(10-8-15)18(20)12-17-6-4-5-14(3)19-17/h7-10,13-14,17-20H,4-6,11-12H2,1-3H3.
What are the key properties of 2-(6-methylpiperidin-2-yl)-1-[4-(2-methylpropyl)phenyl]ethanol?
2-(6-methylpiperidin-2-yl)-1-[4-(2-methylpropyl)phenyl]ethanol has a molecular weight of 275.44 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylpiperidin-2-yl)-1-[4-(2-methylpropyl)phenyl]ethanol is sourced from PubChem (CID 116685555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).