4-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1,4-oxazepan-6-ol

C18H28ClN3O2 — CID 70730770

IUPAC4-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1,4-oxazepan-6-ol
SMILESOC1COCCN(CCCN2CCN(c3cccc(Cl)c3)CC2)C1
InChIInChI=1S/C18H28ClN3O2/c19-16-3-1-4-17(13-16)22-9-7-20(8-10-22)5-2-6-21-11-12-24-15-18(23)14-21/h1,3-4,13,18,23H,2,5-12,14-15H2
InChIKeyLOUFUXFCEDKGHT-UHFFFAOYSA-N
MW353.89 g/mol
LogP1.55
Rot. Bonds5

About 4-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1,4-oxazepan-6-ol

4-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1,4-oxazepan-6-ol (PubChem CID 70730770) has the molecular formula C18H28ClN3O2 and a molecular weight of 353.89 g/mol. Its IUPAC name is 4-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1,4-oxazepan-6-ol.

Molecular Properties

Compound Name4-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1,4-oxazepan-6-ol
PubChem CID70730770
Molecular FormulaC18H28ClN3O2
Molecular Weight353.89 g/mol
Exact Mass353.19
IUPAC Name4-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1,4-oxazepan-6-ol
SMILESOC1COCCN(CCCN2CCN(c3cccc(Cl)c3)CC2)C1
InChIInChI=1S/C18H28ClN3O2/c19-16-3-1-4-17(13-16)22-9-7-20(8-10-22)5-2-6-21-11-12-24-15-18(23)14-21/h1,3-4,13,18,23H,2,5-12,14-15H2
InChIKeyLOUFUXFCEDKGHT-UHFFFAOYSA-N
XLogP1.55
TPSA39.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.89
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]pyrrolidin-3-yl]methanol
CID 131905298
bis((Z)-but-2-enedioic acid);4-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]morpholine
CID 24840227
3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]oxan-4-amine
CID 103058539
4-(3-chlorophenyl)-N-(2-morpholin-4-ylethyl)piperazine-1-carbothioamide
CID 4518994
5-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpentan-1-amine
CID 62424615
(3S,4R)-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol
CID 155496981
4-(3-chlorophenyl)-N-ethyl-N'-(4-morpholin-4-ylbutyl)piperazine-1-carboximidamide
CID 111186811
1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-one
CID 60649957
4-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-4-azatetracyclo[5.4.2.02,6.08,11]trideca-9,12-diene-3,5-dione
CID 14086477
3-[4-(3-chlorophenyl)piperazin-1-yl]propyl adamantane-1-carboxylate
CID 10621874
1-(3-chlorophenyl)-4-[3-(2,3-dihydro-1H-inden-1-yl)propyl]piperazine
CID 22029328
2-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine
CID 10571609

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1,4-oxazepan-6-ol?
The IUPAC name of 4-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1,4-oxazepan-6-ol (CID 70730770) is 4-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1,4-oxazepan-6-ol.
What is the SMILES notation for 4-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1,4-oxazepan-6-ol?
The canonical SMILES for 4-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1,4-oxazepan-6-ol is OC1COCCN(CCCN2CCN(c3cccc(Cl)c3)CC2)C1.
What is the InChIKey of 4-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1,4-oxazepan-6-ol?
The InChIKey is LOUFUXFCEDKGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClN3O2/c19-16-3-1-4-17(13-16)22-9-7-20(8-10-22)5-2-6-21-11-12-24-15-18(23)14-21/h1,3-4,13,18,23H,2,5-12,14-15H2.
What are the key properties of 4-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1,4-oxazepan-6-ol?
4-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1,4-oxazepan-6-ol has a molecular weight of 353.89 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1,4-oxazepan-6-ol is sourced from PubChem (CID 70730770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).