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

C16H23FN2O — CID 103619777

IUPAC2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)ethanol
SMILESOC(CN1CCN(CC2CC2)CC1)c1ccccc1F
InChIInChI=1S/C16H23FN2O/c17-15-4-2-1-3-14(15)16(20)12-19-9-7-18(8-10-19)11-13-5-6-13/h1-4,13,16,20H,5-12H2
InChIKeyXBBDMLZYIMIZIV-UHFFFAOYSA-N
MW278.37 g/mol
LogP1.89
Rot. Bonds5

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

2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)ethanol (PubChem CID 103619777) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)ethanol
PubChem CID103619777
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)ethanol
SMILESOC(CN1CCN(CC2CC2)CC1)c1ccccc1F
InChIInChI=1S/C16H23FN2O/c17-15-4-2-1-3-14(15)16(20)12-19-9-7-18(8-10-19)11-13-5-6-13/h1-4,13,16,20H,5-12H2
InChIKeyXBBDMLZYIMIZIV-UHFFFAOYSA-N
XLogP1.89
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(cyclohexylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)ethanol
CID 110908424
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-(2-fluorophenyl)-2-[4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanol
CID 166226938
2-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]acetamide
CID 110892661
1-[[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]methyl]piperidin-2-one
CID 111496584
2-(4-ethyl-1,4-diazepan-1-yl)-1-(2-fluorophenyl)ethanol
CID 111102980
1-(2-fluorophenyl)-2-(3-propylpyrrolidin-1-yl)ethanol
CID 113246642
azepan-1-yl-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]methanone
CID 110887653
ethyl 4-[2-(2-fluorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate
CID 110887601
4-[2-(2-fluorophenyl)-2-hydroxyethyl]-N,N-dimethylpiperazine-1-carboxamide
CID 110889743

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)ethanol?
The IUPAC name of 2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)ethanol (CID 103619777) is 2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)ethanol.
What is the SMILES notation for 2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)ethanol?
The canonical SMILES for 2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)ethanol is OC(CN1CCN(CC2CC2)CC1)c1ccccc1F.
What is the InChIKey of 2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)ethanol?
The InChIKey is XBBDMLZYIMIZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c17-15-4-2-1-3-14(15)16(20)12-19-9-7-18(8-10-19)11-13-5-6-13/h1-4,13,16,20H,5-12H2.
What are the key properties of 2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)ethanol?
2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)ethanol has a molecular weight of 278.37 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)ethanol is sourced from PubChem (CID 103619777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).