1-[4-(2-chlorophenyl)piperazin-1-yl]-1-phenoxypropan-2-ol

C19H23ClN2O2 — CID 135372686

IUPAC1-[4-(2-chlorophenyl)piperazin-1-yl]-1-phenoxypropan-2-ol
SMILESCC(O)C(Oc1ccccc1)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C19H23ClN2O2/c1-15(23)19(24-16-7-3-2-4-8-16)22-13-11-21(12-14-22)18-10-6-5-9-17(18)20/h2-10,15,19,23H,11-14H2,1H3
InChIKeyOJKBRWWQVUUZBP-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.25
Rot. Bonds5

About 1-[4-(2-chlorophenyl)piperazin-1-yl]-1-phenoxypropan-2-ol

1-[4-(2-chlorophenyl)piperazin-1-yl]-1-phenoxypropan-2-ol (PubChem CID 135372686) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 1-[4-(2-chlorophenyl)piperazin-1-yl]-1-phenoxypropan-2-ol.

Molecular Properties

Compound Name1-[4-(2-chlorophenyl)piperazin-1-yl]-1-phenoxypropan-2-ol
PubChem CID135372686
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name1-[4-(2-chlorophenyl)piperazin-1-yl]-1-phenoxypropan-2-ol
SMILESCC(O)C(Oc1ccccc1)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C19H23ClN2O2/c1-15(23)19(24-16-7-3-2-4-8-16)22-13-11-21(12-14-22)18-10-6-5-9-17(18)20/h2-10,15,19,23H,11-14H2,1H3
InChIKeyOJKBRWWQVUUZBP-UHFFFAOYSA-N
XLogP3.25
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenoxypropan-1-one
CID 18161263
3-[4-(2-chlorophenyl)piperazin-1-yl]butanoic acid
CID 43537419
2-[4-(2-chlorophenyl)piperazin-1-yl]propan-1-amine
CID 43118109
1-[4-(2-chlorophenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 60635306
2-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenylacetamide
CID 17433888
N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-phenoxypropanamide
CID 44961271
2-[4-[(1S)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]phenol
CID 8528818
(2R)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)propanamide
CID 8704511
3-[4-(2-chlorophenyl)piperazin-1-yl]-2-methylpropanoic acid
CID 43538753
(2S)-1-benzhydryloxy-3-[4-(2-chlorophenyl)piperazin-1-yl]propan-2-ol
CID 2327371
(1R)-2-[4-(2-chlorophenyl)piperazin-1-yl]-1-phenylethanol
CID 2101809
(2S)-2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]propan-1-one
CID 28933878

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chlorophenyl)piperazin-1-yl]-1-phenoxypropan-2-ol?
The IUPAC name of 1-[4-(2-chlorophenyl)piperazin-1-yl]-1-phenoxypropan-2-ol (CID 135372686) is 1-[4-(2-chlorophenyl)piperazin-1-yl]-1-phenoxypropan-2-ol.
What is the SMILES notation for 1-[4-(2-chlorophenyl)piperazin-1-yl]-1-phenoxypropan-2-ol?
The canonical SMILES for 1-[4-(2-chlorophenyl)piperazin-1-yl]-1-phenoxypropan-2-ol is CC(O)C(Oc1ccccc1)N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 1-[4-(2-chlorophenyl)piperazin-1-yl]-1-phenoxypropan-2-ol?
The InChIKey is OJKBRWWQVUUZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-15(23)19(24-16-7-3-2-4-8-16)22-13-11-21(12-14-22)18-10-6-5-9-17(18)20/h2-10,15,19,23H,11-14H2,1H3.
What are the key properties of 1-[4-(2-chlorophenyl)piperazin-1-yl]-1-phenoxypropan-2-ol?
1-[4-(2-chlorophenyl)piperazin-1-yl]-1-phenoxypropan-2-ol has a molecular weight of 346.86 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chlorophenyl)piperazin-1-yl]-1-phenoxypropan-2-ol is sourced from PubChem (CID 135372686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).