2-(3-methylpiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanol

C17H27NO — CID 54944272

IUPAC2-(3-methylpiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanol
SMILESCC1CCCN(CC(O)c2ccc(C(C)C)cc2)C1
InChIInChI=1S/C17H27NO/c1-13(2)15-6-8-16(9-7-15)17(19)12-18-10-4-5-14(3)11-18/h6-9,13-14,17,19H,4-5,10-12H2,1-3H3
InChIKeyGNQPMLOHTRDLTB-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.58
Rot. Bonds4

About 2-(3-methylpiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanol

2-(3-methylpiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanol (PubChem CID 54944272) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-(3-methylpiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanol.

Molecular Properties

Compound Name2-(3-methylpiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanol
PubChem CID54944272
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-(3-methylpiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanol
SMILESCC1CCCN(CC(O)c2ccc(C(C)C)cc2)C1
InChIInChI=1S/C17H27NO/c1-13(2)15-6-8-16(9-7-15)17(19)12-18-10-4-5-14(3)11-18/h6-9,13-14,17,19H,4-5,10-12H2,1-3H3
InChIKeyGNQPMLOHTRDLTB-UHFFFAOYSA-N
XLogP3.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(4-fluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanol
CID 100852909
2-(3-methylpiperidin-1-yl)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 60981654
1-(4-methoxyphenyl)-2-(3-methylpiperidin-1-yl)ethanol
CID 54944956
1-(3,4-dichlorophenyl)-2-(3-methylpiperidin-1-yl)ethanol
CID 82216087
1-(3,4-difluorophenyl)-2-(3-methylpiperidin-1-yl)ethanol
CID 82217074
2-(3-methylpiperidin-1-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 82215815
3-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidine
CID 58659547
(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
2-(3-ethylpyrrolidin-1-yl)-1-(4-propan-2-ylphenyl)ethanol
CID 112698266
1-(3-methylpiperidin-1-yl)propan-2-ol
CID 60886125
1-(4-fluorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 55099022

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanol?
The IUPAC name of 2-(3-methylpiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanol (CID 54944272) is 2-(3-methylpiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanol.
What is the SMILES notation for 2-(3-methylpiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanol?
The canonical SMILES for 2-(3-methylpiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanol is CC1CCCN(CC(O)c2ccc(C(C)C)cc2)C1.
What is the InChIKey of 2-(3-methylpiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanol?
The InChIKey is GNQPMLOHTRDLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13(2)15-6-8-16(9-7-15)17(19)12-18-10-4-5-14(3)11-18/h6-9,13-14,17,19H,4-5,10-12H2,1-3H3.
What are the key properties of 2-(3-methylpiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanol?
2-(3-methylpiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanol has a molecular weight of 261.41 g/mol, XLogP of 3.58, 4 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-propan-2-ylphenyl)ethanol is sourced from PubChem (CID 54944272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).