1-[2-[4-(4-hydroxy-4-methylcyclohexyl)phenoxy]ethyl]piperidin-4-ol

C20H31NO3 — CID 163522241

IUPAC1-[2-[4-(4-hydroxy-4-methylcyclohexyl)phenoxy]ethyl]piperidin-4-ol
SMILESCC1(O)CCC(c2ccc(OCCN3CCC(O)CC3)cc2)CC1
InChIInChI=1S/C20H31NO3/c1-20(23)10-6-17(7-11-20)16-2-4-19(5-3-16)24-15-14-21-12-8-18(22)9-13-21/h2-5,17-18,22-23H,6-15H2,1H3
InChIKeyDLVFIIQJPCASTE-UHFFFAOYSA-N
MW333.47 g/mol
LogP2.93
Rot. Bonds5

About 1-[2-[4-(4-hydroxy-4-methylcyclohexyl)phenoxy]ethyl]piperidin-4-ol

1-[2-[4-(4-hydroxy-4-methylcyclohexyl)phenoxy]ethyl]piperidin-4-ol (PubChem CID 163522241) has the molecular formula C20H31NO3 and a molecular weight of 333.47 g/mol. Its IUPAC name is 1-[2-[4-(4-hydroxy-4-methylcyclohexyl)phenoxy]ethyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-[4-(4-hydroxy-4-methylcyclohexyl)phenoxy]ethyl]piperidin-4-ol
PubChem CID163522241
Molecular FormulaC20H31NO3
Molecular Weight333.47 g/mol
Exact Mass333.23
IUPAC Name1-[2-[4-(4-hydroxy-4-methylcyclohexyl)phenoxy]ethyl]piperidin-4-ol
SMILESCC1(O)CCC(c2ccc(OCCN3CCC(O)CC3)cc2)CC1
InChIInChI=1S/C20H31NO3/c1-20(23)10-6-17(7-11-20)16-2-4-19(5-3-16)24-15-14-21-12-8-18(22)9-13-21/h2-5,17-18,22-23H,6-15H2,1H3
InChIKeyDLVFIIQJPCASTE-UHFFFAOYSA-N
XLogP2.93
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.47
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-[4-(4-hydroxy-4-methylcyclohexyl)phenoxy]ethyl]piperidin-4-ol 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

Venlafaxine
CID 5656
4-Hydroxytamoxifen
CID 449459
Venlafaxine Hydrochloride
CID 62923
4-(1-(4-(2-(Dimethylamino)ethoxy)phenyl)-2-phenyl-1-buten-1-yl)phenol
CID 63062
(E)-4-Hydroxytamoxifen
CID 5352135
(+)-Femoxetine
CID 3012003
Benproperine
CID 2326
Fomocaine
CID 71693
4'-Hydroxytamoxifen
CID 5284643
alpha-Hydroxytamoxifen
CID 3036580
Gsk5182
CID 6852176
Venlafaxine N-Oxide
CID 76559643

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(4-hydroxy-4-methylcyclohexyl)phenoxy]ethyl]piperidin-4-ol?
The IUPAC name of 1-[2-[4-(4-hydroxy-4-methylcyclohexyl)phenoxy]ethyl]piperidin-4-ol (CID 163522241) is 1-[2-[4-(4-hydroxy-4-methylcyclohexyl)phenoxy]ethyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-[4-(4-hydroxy-4-methylcyclohexyl)phenoxy]ethyl]piperidin-4-ol?
The canonical SMILES for 1-[2-[4-(4-hydroxy-4-methylcyclohexyl)phenoxy]ethyl]piperidin-4-ol is CC1(O)CCC(c2ccc(OCCN3CCC(O)CC3)cc2)CC1.
What is the InChIKey of 1-[2-[4-(4-hydroxy-4-methylcyclohexyl)phenoxy]ethyl]piperidin-4-ol?
The InChIKey is DLVFIIQJPCASTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO3/c1-20(23)10-6-17(7-11-20)16-2-4-19(5-3-16)24-15-14-21-12-8-18(22)9-13-21/h2-5,17-18,22-23H,6-15H2,1H3.
What are the key properties of 1-[2-[4-(4-hydroxy-4-methylcyclohexyl)phenoxy]ethyl]piperidin-4-ol?
1-[2-[4-(4-hydroxy-4-methylcyclohexyl)phenoxy]ethyl]piperidin-4-ol has a molecular weight of 333.47 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(4-hydroxy-4-methylcyclohexyl)phenoxy]ethyl]piperidin-4-ol is sourced from PubChem (CID 163522241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).