[4-[[3-ethyl-4-(ethylamino)piperidin-1-yl]methyl]phenyl]methanol

C17H28N2O — CID 114507523

IUPAC[4-[[3-ethyl-4-(ethylamino)piperidin-1-yl]methyl]phenyl]methanol
SMILESCCNC1CCN(Cc2ccc(CO)cc2)CC1CC
InChIInChI=1S/C17H28N2O/c1-3-16-12-19(10-9-17(16)18-4-2)11-14-5-7-15(13-20)8-6-14/h5-8,16-18,20H,3-4,9-13H2,1-2H3
InChIKeyUENBQSYCNHLMHX-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.39
Rot. Bonds6

About [4-[[3-ethyl-4-(ethylamino)piperidin-1-yl]methyl]phenyl]methanol

[4-[[3-ethyl-4-(ethylamino)piperidin-1-yl]methyl]phenyl]methanol (PubChem CID 114507523) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is [4-[[3-ethyl-4-(ethylamino)piperidin-1-yl]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[3-ethyl-4-(ethylamino)piperidin-1-yl]methyl]phenyl]methanol
PubChem CID114507523
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name[4-[[3-ethyl-4-(ethylamino)piperidin-1-yl]methyl]phenyl]methanol
SMILESCCNC1CCN(Cc2ccc(CO)cc2)CC1CC
InChIInChI=1S/C17H28N2O/c1-3-16-12-19(10-9-17(16)18-4-2)11-14-5-7-15(13-20)8-6-14/h5-8,16-18,20H,3-4,9-13H2,1-2H3
InChIKeyUENBQSYCNHLMHX-UHFFFAOYSA-N
XLogP2.39
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,3-diethyl-1-[(4-methoxyphenyl)methyl]piperidin-4-amine
CID 114507320
1-(2,3-dihydro-1H-inden-5-ylmethyl)-N,3-diethylpiperidin-4-amine
CID 114507373
N,3-diethyl-1-[(3-fluorophenyl)methyl]piperidin-4-amine
CID 114507392
N,3-diethyl-1-[(3-methoxyphenyl)methyl]piperidin-4-amine
CID 114507529
[(3R,4S)-1-benzyl-3-(ethylamino)piperidin-4-yl]methanol
CID 97177578
[4-[(3-propylpyrrolidin-1-yl)methyl]phenyl]methanol
CID 113356734
3-ethyl-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 114507825
methyl 1-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidine-3-carboxylate
CID 112631199
1-benzyl-3-ethylpiperidin-4-ol
CID 23003710
N,3-diethyl-1-(2-ethylbutyl)piperidin-4-amine
CID 114507419
1-[2-[3-ethyl-4-(ethylamino)piperidin-1-yl]ethyl]pyridin-2-one
CID 114507542
[4-[(4-ethylazepan-1-yl)methyl]phenyl]methanol
CID 112631282

Frequently Asked Questions

What is the IUPAC name of [4-[[3-ethyl-4-(ethylamino)piperidin-1-yl]methyl]phenyl]methanol?
The IUPAC name of [4-[[3-ethyl-4-(ethylamino)piperidin-1-yl]methyl]phenyl]methanol (CID 114507523) is [4-[[3-ethyl-4-(ethylamino)piperidin-1-yl]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[3-ethyl-4-(ethylamino)piperidin-1-yl]methyl]phenyl]methanol?
The canonical SMILES for [4-[[3-ethyl-4-(ethylamino)piperidin-1-yl]methyl]phenyl]methanol is CCNC1CCN(Cc2ccc(CO)cc2)CC1CC.
What is the InChIKey of [4-[[3-ethyl-4-(ethylamino)piperidin-1-yl]methyl]phenyl]methanol?
The InChIKey is UENBQSYCNHLMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-16-12-19(10-9-17(16)18-4-2)11-14-5-7-15(13-20)8-6-14/h5-8,16-18,20H,3-4,9-13H2,1-2H3.
What are the key properties of [4-[[3-ethyl-4-(ethylamino)piperidin-1-yl]methyl]phenyl]methanol?
[4-[[3-ethyl-4-(ethylamino)piperidin-1-yl]methyl]phenyl]methanol has a molecular weight of 276.42 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-ethyl-4-(ethylamino)piperidin-1-yl]methyl]phenyl]methanol is sourced from PubChem (CID 114507523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).