1-(4-chlorophenoxy)-3-(4-cyclopentylpiperazin-1-yl)propan-2-ol

C18H27ClN2O2 — CID 110887687

IUPAC1-(4-chlorophenoxy)-3-(4-cyclopentylpiperazin-1-yl)propan-2-ol
SMILESOC(COc1ccc(Cl)cc1)CN1CCN(C2CCCC2)CC1
InChIInChI=1S/C18H27ClN2O2/c19-15-5-7-18(8-6-15)23-14-17(22)13-20-9-11-21(12-10-20)16-3-1-2-4-16/h5-8,16-17,22H,1-4,9-14H2
InChIKeyQGYHCROEMHLVHN-UHFFFAOYSA-N
MW338.88 g/mol
LogP2.64
Rot. Bonds6

About 1-(4-chlorophenoxy)-3-(4-cyclopentylpiperazin-1-yl)propan-2-ol

1-(4-chlorophenoxy)-3-(4-cyclopentylpiperazin-1-yl)propan-2-ol (PubChem CID 110887687) has the molecular formula C18H27ClN2O2 and a molecular weight of 338.88 g/mol. Its IUPAC name is 1-(4-chlorophenoxy)-3-(4-cyclopentylpiperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-chlorophenoxy)-3-(4-cyclopentylpiperazin-1-yl)propan-2-ol
PubChem CID110887687
Molecular FormulaC18H27ClN2O2
Molecular Weight338.88 g/mol
Exact Mass338.18
IUPAC Name1-(4-chlorophenoxy)-3-(4-cyclopentylpiperazin-1-yl)propan-2-ol
SMILESOC(COc1ccc(Cl)cc1)CN1CCN(C2CCCC2)CC1
InChIInChI=1S/C18H27ClN2O2/c19-15-5-7-18(8-6-15)23-14-17(22)13-20-9-11-21(12-10-20)16-3-1-2-4-16/h5-8,16-17,22H,1-4,9-14H2
InChIKeyQGYHCROEMHLVHN-UHFFFAOYSA-N
XLogP2.64
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(4-cyclohexylpiperazin-1-yl)-3-[4-[(2R)-3-(4-cyclohexylpiperazin-1-yl)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 7155116
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-[4-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 71960280
1-(4-chlorophenoxy)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 3747847
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-[4-[3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 19133200
1-[3-[4-(4-chlorophenyl)phenoxy]-2-hydroxypropyl]piperidin-3-ol
CID 21396143
(2S)-1-(4-chlorophenoxy)-3-(1,4-diazepan-1-yl)propan-2-ol
CID 95067055
1-(4-cyclopentylpiperazin-1-yl)-3-(2,3,6-trimethylphenoxy)propan-2-ol
CID 110887797
1-(4-chlorophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol chloride
CID 53352471
1-(4-chlorophenoxy)-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 3859453
(2S)-1-(4-cyclopropyl-1,4-diazepan-1-yl)-3-(2,6-dichlorophenoxy)propan-2-ol
CID 97010622
1-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 118131567
N-[1-[3-(4-chlorophenoxy)-2-hydroxypropyl]piperidin-4-yl]-N-methylacetamide
CID 49231615

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenoxy)-3-(4-cyclopentylpiperazin-1-yl)propan-2-ol?
The IUPAC name of 1-(4-chlorophenoxy)-3-(4-cyclopentylpiperazin-1-yl)propan-2-ol (CID 110887687) is 1-(4-chlorophenoxy)-3-(4-cyclopentylpiperazin-1-yl)propan-2-ol.
What is the SMILES notation for 1-(4-chlorophenoxy)-3-(4-cyclopentylpiperazin-1-yl)propan-2-ol?
The canonical SMILES for 1-(4-chlorophenoxy)-3-(4-cyclopentylpiperazin-1-yl)propan-2-ol is OC(COc1ccc(Cl)cc1)CN1CCN(C2CCCC2)CC1.
What is the InChIKey of 1-(4-chlorophenoxy)-3-(4-cyclopentylpiperazin-1-yl)propan-2-ol?
The InChIKey is QGYHCROEMHLVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O2/c19-15-5-7-18(8-6-15)23-14-17(22)13-20-9-11-21(12-10-20)16-3-1-2-4-16/h5-8,16-17,22H,1-4,9-14H2.
What are the key properties of 1-(4-chlorophenoxy)-3-(4-cyclopentylpiperazin-1-yl)propan-2-ol?
1-(4-chlorophenoxy)-3-(4-cyclopentylpiperazin-1-yl)propan-2-ol has a molecular weight of 338.88 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenoxy)-3-(4-cyclopentylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 110887687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).