[1-amino-3-(3-ethyl-4-methylpiperazin-1-yl)cyclopentyl]methanol

C13H27N3O — CID 79655931

IUPAC[1-amino-3-(3-ethyl-4-methylpiperazin-1-yl)cyclopentyl]methanol
SMILESCCC1CN(C2CCC(N)(CO)C2)CCN1C
InChIInChI=1S/C13H27N3O/c1-3-11-9-16(7-6-15(11)2)12-4-5-13(14,8-12)10-17/h11-12,17H,3-10,14H2,1-2H3
InChIKeyXXEXRMWVVSYVLU-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.25
Rot. Bonds3

About [1-amino-3-(3-ethyl-4-methylpiperazin-1-yl)cyclopentyl]methanol

[1-amino-3-(3-ethyl-4-methylpiperazin-1-yl)cyclopentyl]methanol (PubChem CID 79655931) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is [1-amino-3-(3-ethyl-4-methylpiperazin-1-yl)cyclopentyl]methanol.

Molecular Properties

Compound Name[1-amino-3-(3-ethyl-4-methylpiperazin-1-yl)cyclopentyl]methanol
PubChem CID79655931
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name[1-amino-3-(3-ethyl-4-methylpiperazin-1-yl)cyclopentyl]methanol
SMILESCCC1CN(C2CCC(N)(CO)C2)CCN1C
InChIInChI=1S/C13H27N3O/c1-3-11-9-16(7-6-15(11)2)12-4-5-13(14,8-12)10-17/h11-12,17H,3-10,14H2,1-2H3
InChIKeyXXEXRMWVVSYVLU-UHFFFAOYSA-N
XLogP0.25
TPSA52.73 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 ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-amino-3-(3,4-dimethylpiperazin-1-yl)cyclohexyl]methanol
CID 79634080
[1-amino-3-(4-ethylpiperidin-1-yl)cyclopentyl]methanol
CID 79655902
[1-amino-3-(4-ethylpiperazin-1-yl)cyclopentyl]methanol
CID 79656436
[1-amino-3-(3-ethoxypiperidin-1-yl)cyclopentyl]methanol
CID 79656230
[1-amino-3-(3,5-dimethylpiperidin-1-yl)cyclopentyl]methanol
CID 79656844
[1-amino-3-(3-ethylpiperidin-1-yl)cyclohexyl]methanol
CID 79640939
[1-amino-3-(3-azabicyclo[3.3.1]nonan-3-yl)cyclopentyl]methanol
CID 114196891
[1-amino-3-(4-propan-2-ylazepan-1-yl)cyclopentyl]methanol
CID 79656554
[1-amino-3-(3-propylpyrrolidin-1-yl)cyclohexyl]methanol
CID 113419340
[1-amino-3-(5-ethyl-2-methylpiperidin-1-yl)cyclopentyl]methanol
CID 112734609
[1-amino-3-(4-butan-2-ylpiperazin-1-yl)cyclohexyl]methanol
CID 79634360
[1-amino-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]cyclohexyl]methanol
CID 79635510

Frequently Asked Questions

What is the IUPAC name of [1-amino-3-(3-ethyl-4-methylpiperazin-1-yl)cyclopentyl]methanol?
The IUPAC name of [1-amino-3-(3-ethyl-4-methylpiperazin-1-yl)cyclopentyl]methanol (CID 79655931) is [1-amino-3-(3-ethyl-4-methylpiperazin-1-yl)cyclopentyl]methanol.
What is the SMILES notation for [1-amino-3-(3-ethyl-4-methylpiperazin-1-yl)cyclopentyl]methanol?
The canonical SMILES for [1-amino-3-(3-ethyl-4-methylpiperazin-1-yl)cyclopentyl]methanol is CCC1CN(C2CCC(N)(CO)C2)CCN1C.
What is the InChIKey of [1-amino-3-(3-ethyl-4-methylpiperazin-1-yl)cyclopentyl]methanol?
The InChIKey is XXEXRMWVVSYVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-3-11-9-16(7-6-15(11)2)12-4-5-13(14,8-12)10-17/h11-12,17H,3-10,14H2,1-2H3.
What are the key properties of [1-amino-3-(3-ethyl-4-methylpiperazin-1-yl)cyclopentyl]methanol?
[1-amino-3-(3-ethyl-4-methylpiperazin-1-yl)cyclopentyl]methanol has a molecular weight of 241.38 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-3-(3-ethyl-4-methylpiperazin-1-yl)cyclopentyl]methanol is sourced from PubChem (CID 79655931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).