1-(azepan-4-yl)-2-(4-methylpiperazin-1-yl)ethanol

C13H27N3O — CID 115006999

IUPAC1-(azepan-4-yl)-2-(4-methylpiperazin-1-yl)ethanol
SMILESCN1CCN(CC(O)C2CCCNCC2)CC1
InChIInChI=1S/C13H27N3O/c1-15-7-9-16(10-8-15)11-13(17)12-3-2-5-14-6-4-12/h12-14,17H,2-11H2,1H3
InChIKeyRGKRUFGVUHIKTQ-UHFFFAOYSA-N
MW241.38 g/mol
LogP-0.02
Rot. Bonds3

About 1-(azepan-4-yl)-2-(4-methylpiperazin-1-yl)ethanol

1-(azepan-4-yl)-2-(4-methylpiperazin-1-yl)ethanol (PubChem CID 115006999) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 1-(azepan-4-yl)-2-(4-methylpiperazin-1-yl)ethanol.

Molecular Properties

Compound Name1-(azepan-4-yl)-2-(4-methylpiperazin-1-yl)ethanol
PubChem CID115006999
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name1-(azepan-4-yl)-2-(4-methylpiperazin-1-yl)ethanol
SMILESCN1CCN(CC(O)C2CCCNCC2)CC1
InChIInChI=1S/C13H27N3O/c1-15-7-9-16(10-8-15)11-13(17)12-3-2-5-14-6-4-12/h12-14,17H,2-11H2,1H3
InChIKeyRGKRUFGVUHIKTQ-UHFFFAOYSA-N
XLogP-0.02
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-piperazin-1-yl-1-pyrrolidin-3-ylethanol
CID 115021800
1-cyclobutyl-2-pyrrolidin-1-ylethanol
CID 117245548
1-cyclohexyl-2-[4-(2-methylpropyl)piperazin-1-yl]ethanol
CID 104752803
2-(4,4-dimethylpiperidin-1-yl)-1-(1-methylpiperidin-4-yl)ethanol
CID 76828432
1-cyclopentyl-2-[4-(cyclopropylmethyl)piperazin-1-yl]ethanol
CID 113449144
2-(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)-1-piperidin-4-ylethanol
CID 146043484
1-cyclopropyl-2-(4-propan-2-ylpiperazin-1-yl)ethanol
CID 63908037
1-amino-3-(4,11-dimethyl-1,4,8,11-tetrazacyclotetradec-1-yl)propan-2-ol
CID 167469531
4-(2-cyclopropyl-2-hydroxyethyl)-N-ethylpiperazine-1-carboxamide
CID 71783438
1-cyclopentyl-2-(4-propylpiperidin-1-yl)ethanol
CID 104752787
1-piperidin-4-yl-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanol
CID 146042226
1-piperidin-4-yl-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanol;dihydrochloride
CID 154920544

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-4-yl)-2-(4-methylpiperazin-1-yl)ethanol?
The IUPAC name of 1-(azepan-4-yl)-2-(4-methylpiperazin-1-yl)ethanol (CID 115006999) is 1-(azepan-4-yl)-2-(4-methylpiperazin-1-yl)ethanol.
What is the SMILES notation for 1-(azepan-4-yl)-2-(4-methylpiperazin-1-yl)ethanol?
The canonical SMILES for 1-(azepan-4-yl)-2-(4-methylpiperazin-1-yl)ethanol is CN1CCN(CC(O)C2CCCNCC2)CC1.
What is the InChIKey of 1-(azepan-4-yl)-2-(4-methylpiperazin-1-yl)ethanol?
The InChIKey is RGKRUFGVUHIKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-15-7-9-16(10-8-15)11-13(17)12-3-2-5-14-6-4-12/h12-14,17H,2-11H2,1H3.
What are the key properties of 1-(azepan-4-yl)-2-(4-methylpiperazin-1-yl)ethanol?
1-(azepan-4-yl)-2-(4-methylpiperazin-1-yl)ethanol has a molecular weight of 241.38 g/mol, XLogP of -0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-4-yl)-2-(4-methylpiperazin-1-yl)ethanol is sourced from PubChem (CID 115006999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).