1-[4-(2-fluorophenyl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol;hydrochloride

C20H26ClFN2O2 — CID 6602930

IUPAC1-[4-(2-fluorophenyl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol;hydrochloride
SMILESCl.OC(COCc1ccccc1)CN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C20H25FN2O2.ClH/c21-19-8-4-5-9-20(19)23-12-10-22(11-13-23)14-18(24)16-25-15-17-6-2-1-3-7-17;/h1-9,18,24H,10-16H2;1H
InChIKeyQWVLPCXMGKPOJM-UHFFFAOYSA-N
MW380.89 g/mol
LogP2.95
Rot. Bonds7

About 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol;hydrochloride

1-[4-(2-fluorophenyl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol;hydrochloride (PubChem CID 6602930) has the molecular formula C20H26ClFN2O2 and a molecular weight of 380.89 g/mol. Its IUPAC name is 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[4-(2-fluorophenyl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol;hydrochloride
PubChem CID6602930
Molecular FormulaC20H26ClFN2O2
Molecular Weight380.89 g/mol
Exact Mass380.17
IUPAC Name1-[4-(2-fluorophenyl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol;hydrochloride
SMILESCl.OC(COCc1ccccc1)CN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C20H25FN2O2.ClH/c21-19-8-4-5-9-20(19)23-12-10-22(11-13-23)14-18(24)16-25-15-17-6-2-1-3-7-17;/h1-9,18,24H,10-16H2;1H
InChIKeyQWVLPCXMGKPOJM-UHFFFAOYSA-N
XLogP2.95
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.89
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Fluciprazine
CID 216227
1-(4-Fluorophenyl)-2-[4-(2-fluorophenyl)piperazino]-1-ethanol
CID 2766998
1-(Cyclohexyloxy)-3-[4-(4-methylphenyl)-1-piperazinyl]-2-propanol
CID 2931390
1-[2-(3,4-dihydro-1H-2-benzopyran-1-yl)ethyl]-4-(4-fluorophenyl)piperazine
CID 9909648
2-(Benzyloxy)-1-(4-(2,4-difluorophenyl)piperazin-1-yl)ethanone
CID 24762955
[3-[4-(4-Fluorophenyl)piperazin-1-yl]-1-phenylpropyl] carbamate
CID 25120701
[3-[4-(2-Fluorophenyl)piperazin-1-yl]-1-phenylpropyl] carbamate
CID 67281637
1-Phenyl-2-(4-phenylpiperazino)-1-ethanol
CID 247570
1-Phenoxy-3-(4-p-tolyl-piperazin-1-yl)-propan-2-ol
CID 260288
1-(4-Phenylpiperazin-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 3296216
1-(4-Ethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol;hydrochloride
CID 6602855
3-(4-(4-Fluorophenyl)piperazin-1-yl)-1-phenylpropan-1-ol
CID 10805222

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol;hydrochloride?
The IUPAC name of 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol;hydrochloride (CID 6602930) is 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol;hydrochloride.
What is the SMILES notation for 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol;hydrochloride?
The canonical SMILES for 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol;hydrochloride is Cl.OC(COCc1ccccc1)CN1CCN(c2ccccc2F)CC1.
What is the InChIKey of 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol;hydrochloride?
The InChIKey is QWVLPCXMGKPOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O2.ClH/c21-19-8-4-5-9-20(19)23-12-10-22(11-13-23)14-18(24)16-25-15-17-6-2-1-3-7-17;/h1-9,18,24H,10-16H2;1H.
What are the key properties of 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol;hydrochloride?
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol;hydrochloride has a molecular weight of 380.89 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol;hydrochloride is sourced from PubChem (CID 6602930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).