[1-(2,6-diethylphenyl)piperidin-4-yl]methanol

C16H25NO — CID 117027938

IUPAC[1-(2,6-diethylphenyl)piperidin-4-yl]methanol
SMILESCCc1cccc(CC)c1N1CCC(CO)CC1
InChIInChI=1S/C16H25NO/c1-3-14-6-5-7-15(4-2)16(14)17-10-8-13(12-18)9-11-17/h5-7,13,18H,3-4,8-12H2,1-2H3
InChIKeyJBDXWXXLSRURHV-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.02
Rot. Bonds4

About [1-(2,6-diethylphenyl)piperidin-4-yl]methanol

[1-(2,6-diethylphenyl)piperidin-4-yl]methanol (PubChem CID 117027938) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is [1-(2,6-diethylphenyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(2,6-diethylphenyl)piperidin-4-yl]methanol
PubChem CID117027938
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name[1-(2,6-diethylphenyl)piperidin-4-yl]methanol
SMILESCCc1cccc(CC)c1N1CCC(CO)CC1
InChIInChI=1S/C16H25NO/c1-3-14-6-5-7-15(4-2)16(14)17-10-8-13(12-18)9-11-17/h5-7,13,18H,3-4,8-12H2,1-2H3
InChIKeyJBDXWXXLSRURHV-UHFFFAOYSA-N
XLogP3.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2-ethylphenyl)piperidin-4-yl]methanol
CID 117027933
1-(2,6-diethylphenyl)piperidin-4-ol
CID 117028325
N-[[1-(2,6-diethylphenyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 62512063
1-(2,6-diethylphenyl)piperidine
CID 10608826
1-[4-(2,6-diethylphenyl)piperazin-1-yl]ethanone
CID 113076338
[1-(2,6-diethylphenyl)piperidin-2-yl]methanol
CID 117027992
1-(2,6-diethylphenyl)-4-methylpiperazine
CID 58732893
ethyl 3-amino-2-[4-(hydroxymethyl)piperidin-1-yl]benzoate
CID 115933779
2-[4-(hydroxymethyl)piperidin-1-yl]-3-methylbenzonitrile
CID 107106438
methyl 3-amino-2-[4-(hydroxymethyl)piperidin-1-yl]benzoate
CID 112577545
(1R)-1-[3-fluoro-2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]ethanol
CID 114059080
1-(2-ethyl-6-methylphenyl)-4-(1-methylpiperidin-4-yl)piperidine
CID 59110945

Frequently Asked Questions

What is the IUPAC name of [1-(2,6-diethylphenyl)piperidin-4-yl]methanol?
The IUPAC name of [1-(2,6-diethylphenyl)piperidin-4-yl]methanol (CID 117027938) is [1-(2,6-diethylphenyl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-(2,6-diethylphenyl)piperidin-4-yl]methanol?
The canonical SMILES for [1-(2,6-diethylphenyl)piperidin-4-yl]methanol is CCc1cccc(CC)c1N1CCC(CO)CC1.
What is the InChIKey of [1-(2,6-diethylphenyl)piperidin-4-yl]methanol?
The InChIKey is JBDXWXXLSRURHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-14-6-5-7-15(4-2)16(14)17-10-8-13(12-18)9-11-17/h5-7,13,18H,3-4,8-12H2,1-2H3.
What are the key properties of [1-(2,6-diethylphenyl)piperidin-4-yl]methanol?
[1-(2,6-diethylphenyl)piperidin-4-yl]methanol has a molecular weight of 247.38 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-diethylphenyl)piperidin-4-yl]methanol is sourced from PubChem (CID 117027938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).