2-[1-(3-methylphenyl)piperidin-3-yl]ethanol

C14H21NO — CID 117025976

IUPAC2-[1-(3-methylphenyl)piperidin-3-yl]ethanol
SMILESCc1cccc(N2CCCC(CCO)C2)c1
InChIInChI=1S/C14H21NO/c1-12-4-2-6-14(10-12)15-8-3-5-13(11-15)7-9-16/h2,4,6,10,13,16H,3,5,7-9,11H2,1H3
InChIKeyIPMMGDUXGSABAW-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.59
Rot. Bonds3

About 2-[1-(3-methylphenyl)piperidin-3-yl]ethanol

2-[1-(3-methylphenyl)piperidin-3-yl]ethanol (PubChem CID 117025976) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-[1-(3-methylphenyl)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(3-methylphenyl)piperidin-3-yl]ethanol
PubChem CID117025976
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-[1-(3-methylphenyl)piperidin-3-yl]ethanol
SMILESCc1cccc(N2CCCC(CCO)C2)c1
InChIInChI=1S/C14H21NO/c1-12-4-2-6-14(10-12)15-8-3-5-13(11-15)7-9-16/h2,4,6,10,13,16H,3,5,7-9,11H2,1H3
InChIKeyIPMMGDUXGSABAW-UHFFFAOYSA-N
XLogP2.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(2-hydroxyethyl)piperidin-1-yl]-5-methylbenzaldehyde
CID 114054274
2-[1-(3-aminophenyl)pyrrolidin-3-yl]ethanol
CID 114796856
2-[1-[4-(aminomethyl)phenyl]piperidin-3-yl]ethanol
CID 107227081
2-[1-(3-bromophenyl)pyrrolidin-3-yl]ethanol
CID 83981690
2-[1-(4-fluorophenyl)piperidin-3-yl]ethanol
CID 117025995
2-[1-(4-methyl-3-nitrophenyl)piperidin-3-yl]ethanol
CID 62912136
1-(2-cyclohexylethyl)-4-(3-methylphenyl)piperazine
CID 173113720
[1-(3-methylphenyl)piperidin-4-yl]methanol
CID 117027926
2-[1-(4-methylphenyl)pyrrolidin-3-yl]ethanol
CID 117028445
2-[1-(6-methylpyridazin-4-yl)piperidin-3-yl]ethanol
CID 57015018
2-[1-(2-amino-4-pyridinyl)piperidin-3-yl]ethanol
CID 107229186
2-[methyl-[1-(3-methylphenyl)piperidin-3-yl]amino]acetic acid
CID 117004930

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methylphenyl)piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-(3-methylphenyl)piperidin-3-yl]ethanol (CID 117025976) is 2-[1-(3-methylphenyl)piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(3-methylphenyl)piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(3-methylphenyl)piperidin-3-yl]ethanol is Cc1cccc(N2CCCC(CCO)C2)c1.
What is the InChIKey of 2-[1-(3-methylphenyl)piperidin-3-yl]ethanol?
The InChIKey is IPMMGDUXGSABAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-12-4-2-6-14(10-12)15-8-3-5-13(11-15)7-9-16/h2,4,6,10,13,16H,3,5,7-9,11H2,1H3.
What are the key properties of 2-[1-(3-methylphenyl)piperidin-3-yl]ethanol?
2-[1-(3-methylphenyl)piperidin-3-yl]ethanol has a molecular weight of 219.33 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methylphenyl)piperidin-3-yl]ethanol is sourced from PubChem (CID 117025976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).