(1S)-2-(4-cyclohexylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)ethanol

C20H32N2O3 — CID 95104680

IUPAC(1S)-2-(4-cyclohexylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)ethanol
SMILESCOc1ccc([C@H](O)CN2CCN(C3CCCCC3)CC2)cc1OC
InChIInChI=1S/C20H32N2O3/c1-24-19-9-8-16(14-20(19)25-2)18(23)15-21-10-12-22(13-11-21)17-6-4-3-5-7-17/h8-9,14,17-18,23H,3-7,10-13,15H2,1-2H3/t18-/m1/s1
InChIKeyFIUVXBPWQBGMQV-GOSISDBHSA-N
MW348.49 g/mol
LogP2.69
Rot. Bonds6

About (1S)-2-(4-cyclohexylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)ethanol

(1S)-2-(4-cyclohexylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)ethanol (PubChem CID 95104680) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is (1S)-2-(4-cyclohexylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)ethanol.

Molecular Properties

Compound Name(1S)-2-(4-cyclohexylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)ethanol
PubChem CID95104680
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC Name(1S)-2-(4-cyclohexylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)ethanol
SMILESCOc1ccc([C@H](O)CN2CCN(C3CCCCC3)CC2)cc1OC
InChIInChI=1S/C20H32N2O3/c1-24-19-9-8-16(14-20(19)25-2)18(23)15-21-10-12-22(13-11-21)17-6-4-3-5-7-17/h8-9,14,17-18,23H,3-7,10-13,15H2,1-2H3/t18-/m1/s1
InChIKeyFIUVXBPWQBGMQV-GOSISDBHSA-N
XLogP2.69
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S)-2-(4-cyclohexylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)ethanol with MolForge

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Related Compounds

1-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethanol
CID 56686974
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(4-methoxyphenyl)ethanol
CID 115824259
(1R)-1-(3,4-dimethoxyphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanol
CID 95104734
1-(3-chloro-4-methoxyphenyl)-2-piperidin-1-ylethanol
CID 82123734
1-(3-chloro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanol
CID 82120406
(1S)-1-(3-fluoro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanol
CID 94264435
2-[4-[(2R)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]piperazin-1-yl]cyclohepta-2,4,6-trien-1-one
CID 13298564
2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(3,4-dimethoxyphenyl)ethanol
CID 53180160
N-[5-[(1R)-1-hydroxy-2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]ethyl]-2-methoxyphenyl]acetamide
CID 51593135
1-(4-bromophenyl)-2-(4-cyclopropylpiperazin-1-yl)ethanol
CID 110935931
2-cyclopentylsulfanyl-1-(3,4-dimethoxyphenyl)ethanol
CID 65138752
(1R)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 873110

Frequently Asked Questions

What is the IUPAC name of (1S)-2-(4-cyclohexylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)ethanol?
The IUPAC name of (1S)-2-(4-cyclohexylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)ethanol (CID 95104680) is (1S)-2-(4-cyclohexylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)ethanol.
What is the SMILES notation for (1S)-2-(4-cyclohexylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)ethanol?
The canonical SMILES for (1S)-2-(4-cyclohexylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)ethanol is COc1ccc([C@H](O)CN2CCN(C3CCCCC3)CC2)cc1OC.
What is the InChIKey of (1S)-2-(4-cyclohexylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)ethanol?
The InChIKey is FIUVXBPWQBGMQV-GOSISDBHSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-24-19-9-8-16(14-20(19)25-2)18(23)15-21-10-12-22(13-11-21)17-6-4-3-5-7-17/h8-9,14,17-18,23H,3-7,10-13,15H2,1-2H3/t18-/m1/s1.
What are the key properties of (1S)-2-(4-cyclohexylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)ethanol?
(1S)-2-(4-cyclohexylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)ethanol has a molecular weight of 348.49 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(4-cyclohexylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)ethanol is sourced from PubChem (CID 95104680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).