[4-(4-hydroxyphenyl)piperazin-1-yl]-(1-methylazepan-2-yl)methanone

C18H27N3O2 — CID 131927700

IUPAC[4-(4-hydroxyphenyl)piperazin-1-yl]-(1-methylazepan-2-yl)methanone
SMILESCN1CCCCCC1C(=O)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C18H27N3O2/c1-19-10-4-2-3-5-17(19)18(23)21-13-11-20(12-14-21)15-6-8-16(22)9-7-15/h6-9,17,22H,2-5,10-14H2,1H3
InChIKeyGUQARMPOSIROAW-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.92
Rot. Bonds2

About [4-(4-hydroxyphenyl)piperazin-1-yl]-(1-methylazepan-2-yl)methanone

[4-(4-hydroxyphenyl)piperazin-1-yl]-(1-methylazepan-2-yl)methanone (PubChem CID 131927700) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is [4-(4-hydroxyphenyl)piperazin-1-yl]-(1-methylazepan-2-yl)methanone.

Molecular Properties

Compound Name[4-(4-hydroxyphenyl)piperazin-1-yl]-(1-methylazepan-2-yl)methanone
PubChem CID131927700
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name[4-(4-hydroxyphenyl)piperazin-1-yl]-(1-methylazepan-2-yl)methanone
SMILESCN1CCCCCC1C(=O)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C18H27N3O2/c1-19-10-4-2-3-5-17(19)18(23)21-13-11-20(12-14-21)15-6-8-16(22)9-7-15/h6-9,17,22H,2-5,10-14H2,1H3
InChIKeyGUQARMPOSIROAW-UHFFFAOYSA-N
XLogP1.92
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclohexyl-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 78777393
[(2R)-1-methylazepan-2-yl]-[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]methanone
CID 97189052
azepan-1-yl-(1-methylpyrrolidin-2-yl)methanone
CID 110856335
2-[4-[(2S)-1-methylazepane-2-carbonyl]piperazin-1-yl]benzonitrile
CID 97203883
(1-methylpiperidin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854882
cyclobutyl-[4-(1-methylazepane-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 131912157
cyclobutyl-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113079016
[4-(4-hydroxyphenyl)piperazin-1-yl]-piperidin-2-ylmethanone
CID 60936747
[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-[(2S)-1-methylpiperidin-2-yl]methanone
CID 95622258
N-cyclohexyl-4-(4-hydroxyphenyl)piperazine-1-carboxamide
CID 4169539
[4-(4-fluorophenyl)piperazin-1-yl]-(1-methylsulfonylpiperidin-2-yl)methanone
CID 16580978
[4-(4-hydroxyphenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 47098482

Frequently Asked Questions

What is the IUPAC name of [4-(4-hydroxyphenyl)piperazin-1-yl]-(1-methylazepan-2-yl)methanone?
The IUPAC name of [4-(4-hydroxyphenyl)piperazin-1-yl]-(1-methylazepan-2-yl)methanone (CID 131927700) is [4-(4-hydroxyphenyl)piperazin-1-yl]-(1-methylazepan-2-yl)methanone.
What is the SMILES notation for [4-(4-hydroxyphenyl)piperazin-1-yl]-(1-methylazepan-2-yl)methanone?
The canonical SMILES for [4-(4-hydroxyphenyl)piperazin-1-yl]-(1-methylazepan-2-yl)methanone is CN1CCCCCC1C(=O)N1CCN(c2ccc(O)cc2)CC1.
What is the InChIKey of [4-(4-hydroxyphenyl)piperazin-1-yl]-(1-methylazepan-2-yl)methanone?
The InChIKey is GUQARMPOSIROAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-19-10-4-2-3-5-17(19)18(23)21-13-11-20(12-14-21)15-6-8-16(22)9-7-15/h6-9,17,22H,2-5,10-14H2,1H3.
What are the key properties of [4-(4-hydroxyphenyl)piperazin-1-yl]-(1-methylazepan-2-yl)methanone?
[4-(4-hydroxyphenyl)piperazin-1-yl]-(1-methylazepan-2-yl)methanone has a molecular weight of 317.43 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-hydroxyphenyl)piperazin-1-yl]-(1-methylazepan-2-yl)methanone is sourced from PubChem (CID 131927700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).