2-[4-(cyclohexylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)ethanol

C19H29FN2O — CID 110908424

IUPAC2-[4-(cyclohexylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)ethanol
SMILESOC(CN1CCN(CC2CCCCC2)CC1)c1ccccc1F
InChIInChI=1S/C19H29FN2O/c20-18-9-5-4-8-17(18)19(23)15-22-12-10-21(11-13-22)14-16-6-2-1-3-7-16/h4-5,8-9,16,19,23H,1-3,6-7,10-15H2
InChIKeyBHCSZPSBBWYDMQ-UHFFFAOYSA-N
MW320.45 g/mol
LogP3.06
Rot. Bonds5

About 2-[4-(cyclohexylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)ethanol

2-[4-(cyclohexylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)ethanol (PubChem CID 110908424) has the molecular formula C19H29FN2O and a molecular weight of 320.45 g/mol. Its IUPAC name is 2-[4-(cyclohexylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-[4-(cyclohexylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)ethanol
PubChem CID110908424
Molecular FormulaC19H29FN2O
Molecular Weight320.45 g/mol
Exact Mass320.23
IUPAC Name2-[4-(cyclohexylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)ethanol
SMILESOC(CN1CCN(CC2CCCCC2)CC1)c1ccccc1F
InChIInChI=1S/C19H29FN2O/c20-18-9-5-4-8-17(18)19(23)15-22-12-10-21(11-13-22)14-16-6-2-1-3-7-16/h4-5,8-9,16,19,23H,1-3,6-7,10-15H2
InChIKeyBHCSZPSBBWYDMQ-UHFFFAOYSA-N
XLogP3.06
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.45
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)ethanol
CID 103619777
2-(aziridin-1-yl)-1-(2-fluorophenyl)ethanol
CID 82125307
(1S)-1-(2-fluorophenyl)-2-[4-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]ethanol
CID 34179618
(1R)-2-[4-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-1-phenylethanol
CID 95319125
1-[[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]methyl]piperidin-2-one
CID 111496584
azepan-1-yl-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]methanone
CID 110887653
2-(4-ethyl-1,4-diazepan-1-yl)-1-(2-fluorophenyl)ethanol
CID 111102980
1-(2-fluorophenyl)-2-[4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanol
CID 166226938
1-(2-fluorophenyl)-2-(3-propylpyrrolidin-1-yl)ethanol
CID 113246642
2-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]acetamide
CID 110892661
1-(2-fluorophenyl)-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethanol
CID 110898564
1-(2-chlorophenyl)-2-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]ethanol
CID 111488895

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclohexylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)ethanol?
The IUPAC name of 2-[4-(cyclohexylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)ethanol (CID 110908424) is 2-[4-(cyclohexylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)ethanol.
What is the SMILES notation for 2-[4-(cyclohexylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)ethanol?
The canonical SMILES for 2-[4-(cyclohexylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)ethanol is OC(CN1CCN(CC2CCCCC2)CC1)c1ccccc1F.
What is the InChIKey of 2-[4-(cyclohexylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)ethanol?
The InChIKey is BHCSZPSBBWYDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN2O/c20-18-9-5-4-8-17(18)19(23)15-22-12-10-21(11-13-22)14-16-6-2-1-3-7-16/h4-5,8-9,16,19,23H,1-3,6-7,10-15H2.
What are the key properties of 2-[4-(cyclohexylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)ethanol?
2-[4-(cyclohexylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)ethanol has a molecular weight of 320.45 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclohexylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)ethanol is sourced from PubChem (CID 110908424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).