[4-(3-cyclohexyloxy-2-hydroxypropyl)piperazin-1-yl]-phenylmethanone

C20H30N2O3 — CID 2930774

IUPAC[4-(3-cyclohexyloxy-2-hydroxypropyl)piperazin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN(CC(O)COC2CCCCC2)CC1
InChIInChI=1S/C20H30N2O3/c23-18(16-25-19-9-5-2-6-10-19)15-21-11-13-22(14-12-21)20(24)17-7-3-1-4-8-17/h1,3-4,7-8,18-19,23H,2,5-6,9-16H2
InChIKeyGCBXXRQRESURFP-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.15
Rot. Bonds6

About [4-(3-cyclohexyloxy-2-hydroxypropyl)piperazin-1-yl]-phenylmethanone

[4-(3-cyclohexyloxy-2-hydroxypropyl)piperazin-1-yl]-phenylmethanone (PubChem CID 2930774) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is [4-(3-cyclohexyloxy-2-hydroxypropyl)piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(3-cyclohexyloxy-2-hydroxypropyl)piperazin-1-yl]-phenylmethanone
PubChem CID2930774
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name[4-(3-cyclohexyloxy-2-hydroxypropyl)piperazin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN(CC(O)COC2CCCCC2)CC1
InChIInChI=1S/C20H30N2O3/c23-18(16-25-19-9-5-2-6-10-19)15-21-11-13-22(14-12-21)20(24)17-7-3-1-4-8-17/h1,3-4,7-8,18-19,23H,2,5-6,9-16H2
InChIKeyGCBXXRQRESURFP-UHFFFAOYSA-N
XLogP2.15
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[3-(2-chlorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-phenylmethanone
CID 3144428
[4-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-phenylmethanone
CID 31591068
[4-[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-1,4-diazepan-1-yl]-phenylmethanone
CID 78849354
(2S)-1-cyclohexyloxy-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol
CID 696962
[4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 1119141
(2S)-1-cyclopentyloxy-3-(4-ethylpiperazin-1-yl)propan-2-ol
CID 30726287
[4-[3-(3-chlorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-phenylmethanone;hydrochloride
CID 126476891
cyclopentyl-[4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]methanone
CID 95934856
1-cyclohexyloxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol;dihydrochloride
CID 44782587
(2R)-1-cyclohexyloxy-3-piperazin-1-ylpropan-2-ol
CID 1132916
(2S)-1-cyclopentyloxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 42588067
(3-aminophenyl)-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]methanone
CID 119881234

Frequently Asked Questions

What is the IUPAC name of [4-(3-cyclohexyloxy-2-hydroxypropyl)piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-(3-cyclohexyloxy-2-hydroxypropyl)piperazin-1-yl]-phenylmethanone (CID 2930774) is [4-(3-cyclohexyloxy-2-hydroxypropyl)piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-(3-cyclohexyloxy-2-hydroxypropyl)piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-(3-cyclohexyloxy-2-hydroxypropyl)piperazin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCN(CC(O)COC2CCCCC2)CC1.
What is the InChIKey of [4-(3-cyclohexyloxy-2-hydroxypropyl)piperazin-1-yl]-phenylmethanone?
The InChIKey is GCBXXRQRESURFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c23-18(16-25-19-9-5-2-6-10-19)15-21-11-13-22(14-12-21)20(24)17-7-3-1-4-8-17/h1,3-4,7-8,18-19,23H,2,5-6,9-16H2.
What are the key properties of [4-(3-cyclohexyloxy-2-hydroxypropyl)piperazin-1-yl]-phenylmethanone?
[4-(3-cyclohexyloxy-2-hydroxypropyl)piperazin-1-yl]-phenylmethanone has a molecular weight of 346.47 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-cyclohexyloxy-2-hydroxypropyl)piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 2930774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).