2-(3-methylpiperidin-1-yl)-1-[4-(2-methylpropyl)phenyl]ethanol

C18H29NO — CID 60981654

IUPAC2-(3-methylpiperidin-1-yl)-1-[4-(2-methylpropyl)phenyl]ethanol
SMILESCC(C)Cc1ccc(C(O)CN2CCCC(C)C2)cc1
InChIInChI=1S/C18H29NO/c1-14(2)11-16-6-8-17(9-7-16)18(20)13-19-10-4-5-15(3)12-19/h6-9,14-15,18,20H,4-5,10-13H2,1-3H3
InChIKeyXGUNVUPPUTYZLE-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.65
Rot. Bonds5

About 2-(3-methylpiperidin-1-yl)-1-[4-(2-methylpropyl)phenyl]ethanol

2-(3-methylpiperidin-1-yl)-1-[4-(2-methylpropyl)phenyl]ethanol (PubChem CID 60981654) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-(3-methylpiperidin-1-yl)-1-[4-(2-methylpropyl)phenyl]ethanol.

Molecular Properties

Compound Name2-(3-methylpiperidin-1-yl)-1-[4-(2-methylpropyl)phenyl]ethanol
PubChem CID60981654
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-(3-methylpiperidin-1-yl)-1-[4-(2-methylpropyl)phenyl]ethanol
SMILESCC(C)Cc1ccc(C(O)CN2CCCC(C)C2)cc1
InChIInChI=1S/C18H29NO/c1-14(2)11-16-6-8-17(9-7-16)18(20)13-19-10-4-5-15(3)12-19/h6-9,14-15,18,20H,4-5,10-13H2,1-3H3
InChIKeyXGUNVUPPUTYZLE-UHFFFAOYSA-N
XLogP3.65
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylpiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanol
CID 54944272
(1S)-1-(4-fluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanol
CID 100852909
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 115561346
1-(4-methoxyphenyl)-2-(3-methylpiperidin-1-yl)ethanol
CID 54944956
2-(3-methylpiperidin-1-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 82215815
1-(3,4-dichlorophenyl)-2-(3-methylpiperidin-1-yl)ethanol
CID 82216087
1-(3,4-difluorophenyl)-2-(3-methylpiperidin-1-yl)ethanol
CID 82217074
1-(4-ethylphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 82073524
1-[4-(2-methylpropyl)phenyl]-3-pyrrolidin-1-ylpropan-1-ol
CID 112510765
(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3S)-3-methylpiperidin-1-yl]ethanol
CID 95054921
1-(3-aminophenyl)-2-(3-methylpiperidin-1-yl)ethanol
CID 62264397
3-cyclopentyl-1-[4-(2-methylpropyl)phenyl]propan-1-ol
CID 63427885

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpiperidin-1-yl)-1-[4-(2-methylpropyl)phenyl]ethanol?
The IUPAC name of 2-(3-methylpiperidin-1-yl)-1-[4-(2-methylpropyl)phenyl]ethanol (CID 60981654) is 2-(3-methylpiperidin-1-yl)-1-[4-(2-methylpropyl)phenyl]ethanol.
What is the SMILES notation for 2-(3-methylpiperidin-1-yl)-1-[4-(2-methylpropyl)phenyl]ethanol?
The canonical SMILES for 2-(3-methylpiperidin-1-yl)-1-[4-(2-methylpropyl)phenyl]ethanol is CC(C)Cc1ccc(C(O)CN2CCCC(C)C2)cc1.
What is the InChIKey of 2-(3-methylpiperidin-1-yl)-1-[4-(2-methylpropyl)phenyl]ethanol?
The InChIKey is XGUNVUPPUTYZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-14(2)11-16-6-8-17(9-7-16)18(20)13-19-10-4-5-15(3)12-19/h6-9,14-15,18,20H,4-5,10-13H2,1-3H3.
What are the key properties of 2-(3-methylpiperidin-1-yl)-1-[4-(2-methylpropyl)phenyl]ethanol?
2-(3-methylpiperidin-1-yl)-1-[4-(2-methylpropyl)phenyl]ethanol has a molecular weight of 275.44 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpiperidin-1-yl)-1-[4-(2-methylpropyl)phenyl]ethanol is sourced from PubChem (CID 60981654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).