(1S)-1-[2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]ethanol

C16H25NO — CID 78941147

IUPAC(1S)-1-[2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]ethanol
SMILESCCC1(C)CCN(c2ccccc2[C@H](C)O)CC1
InChIInChI=1S/C16H25NO/c1-4-16(3)9-11-17(12-10-16)15-8-6-5-7-14(15)13(2)18/h5-8,13,18H,4,9-12H2,1-3H3/t13-/m0/s1
InChIKeyLYTOPIOZRWQKMQ-ZDUSSCGKSA-N
MW247.38 g/mol
LogP3.76
Rot. Bonds3

About (1S)-1-[2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]ethanol

(1S)-1-[2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]ethanol (PubChem CID 78941147) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is (1S)-1-[2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]ethanol
PubChem CID78941147
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name(1S)-1-[2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]ethanol
SMILESCCC1(C)CCN(c2ccccc2[C@H](C)O)CC1
InChIInChI=1S/C16H25NO/c1-4-16(3)9-11-17(12-10-16)15-8-6-5-7-14(15)13(2)18/h5-8,13,18H,4,9-12H2,1-3H3/t13-/m0/s1
InChIKeyLYTOPIOZRWQKMQ-ZDUSSCGKSA-N
XLogP3.76
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-1-[2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(4,4-diethylpiperidin-1-yl)phenyl]ethanol
CID 55166791
1-[2-(4-propylpiperazin-1-yl)phenyl]ethanol
CID 43510167
(1R)-1-[2-(4-methylpiperazin-1-yl)phenyl]ethanol
CID 78939148
N-[[2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 63551607
(1R)-1-(2-morpholin-4-ylphenyl)ethanol
CID 78939110
(1R)-1-(2-thiomorpholin-4-ylphenyl)ethanol
CID 78939439
1-[3-bromo-4-(4-ethyl-4-methylpiperidin-1-yl)phenyl]ethanol
CID 63158863
(1R)-1-[4-(4-ethyl-4-methylpiperidin-1-yl)-3-fluorophenyl]ethanol
CID 78941130
1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]ethanol
CID 43592199
(1R)-1-[2-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanol
CID 102744671
1-[2-(3,3,4-trimethylpiperazin-1-yl)phenyl]ethanol
CID 63610270
ethyl 4-[2-(1-hydroxyethyl)phenyl]piperazine-1-carboxylate
CID 107877242

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]ethanol?
The IUPAC name of (1S)-1-[2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]ethanol (CID 78941147) is (1S)-1-[2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]ethanol?
The canonical SMILES for (1S)-1-[2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]ethanol is CCC1(C)CCN(c2ccccc2[C@H](C)O)CC1.
What is the InChIKey of (1S)-1-[2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]ethanol?
The InChIKey is LYTOPIOZRWQKMQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-16(3)9-11-17(12-10-16)15-8-6-5-7-14(15)13(2)18/h5-8,13,18H,4,9-12H2,1-3H3/t13-/m0/s1.
What are the key properties of (1S)-1-[2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]ethanol?
(1S)-1-[2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]ethanol has a molecular weight of 247.38 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]ethanol is sourced from PubChem (CID 78941147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).