2-[4-(2-methylpropyl)phenyl]-2-piperidin-1-ylethanol

C17H27NO — CID 116860102

IUPAC2-[4-(2-methylpropyl)phenyl]-2-piperidin-1-ylethanol
SMILESCC(C)Cc1ccc(C(CO)N2CCCCC2)cc1
InChIInChI=1S/C17H27NO/c1-14(2)12-15-6-8-16(9-7-15)17(13-19)18-10-4-3-5-11-18/h6-9,14,17,19H,3-5,10-13H2,1-2H3
InChIKeyCEHFCJWJHZWUSY-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.40
Rot. Bonds5

About 2-[4-(2-methylpropyl)phenyl]-2-piperidin-1-ylethanol

2-[4-(2-methylpropyl)phenyl]-2-piperidin-1-ylethanol (PubChem CID 116860102) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-[4-(2-methylpropyl)phenyl]-2-piperidin-1-ylethanol.

Molecular Properties

Compound Name2-[4-(2-methylpropyl)phenyl]-2-piperidin-1-ylethanol
PubChem CID116860102
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-[4-(2-methylpropyl)phenyl]-2-piperidin-1-ylethanol
SMILESCC(C)Cc1ccc(C(CO)N2CCCCC2)cc1
InChIInChI=1S/C17H27NO/c1-14(2)12-15-6-8-16(9-7-15)17(13-19)18-10-4-3-5-11-18/h6-9,14,17,19H,3-5,10-13H2,1-2H3
InChIKeyCEHFCJWJHZWUSY-UHFFFAOYSA-N
XLogP3.40
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethylphenyl)-2-piperidin-1-ylethanol
CID 54775819
2-(4-tert-butylphenyl)-2-pyrrolidin-1-ylethanol
CID 82086606
2-(4-phenylphenyl)-2-pyrrolidin-1-ylethanol
CID 116860322
2-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]ethanol
CID 54775908
2-(3,4-dimethylphenyl)-2-pyrrolidin-1-ylethanol
CID 116860294
2-(4-ethylphenyl)-2-(4-methylpiperazin-1-yl)ethanol
CID 82086942
(2S)-2-(4-ethylphenyl)-2-piperidin-1-ylethanamine
CID 97182151
1-[2-chloro-1-(4-ethylphenyl)ethyl]pyrrolidine
CID 82084005
2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethanol
CID 54776099
2-(4-methylphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanol
CID 112539542
1-[4-(2-methylpropyl)phenyl]-3-pyrrolidin-1-ylpropan-1-ol
CID 112510765
2-(3-chloro-4-methoxyphenyl)-2-piperidin-1-ylethanol
CID 116860097

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpropyl)phenyl]-2-piperidin-1-ylethanol?
The IUPAC name of 2-[4-(2-methylpropyl)phenyl]-2-piperidin-1-ylethanol (CID 116860102) is 2-[4-(2-methylpropyl)phenyl]-2-piperidin-1-ylethanol.
What is the SMILES notation for 2-[4-(2-methylpropyl)phenyl]-2-piperidin-1-ylethanol?
The canonical SMILES for 2-[4-(2-methylpropyl)phenyl]-2-piperidin-1-ylethanol is CC(C)Cc1ccc(C(CO)N2CCCCC2)cc1.
What is the InChIKey of 2-[4-(2-methylpropyl)phenyl]-2-piperidin-1-ylethanol?
The InChIKey is CEHFCJWJHZWUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-14(2)12-15-6-8-16(9-7-15)17(13-19)18-10-4-3-5-11-18/h6-9,14,17,19H,3-5,10-13H2,1-2H3.
What are the key properties of 2-[4-(2-methylpropyl)phenyl]-2-piperidin-1-ylethanol?
2-[4-(2-methylpropyl)phenyl]-2-piperidin-1-ylethanol has a molecular weight of 261.41 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropyl)phenyl]-2-piperidin-1-ylethanol is sourced from PubChem (CID 116860102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).