[1-amino-2-[2-(3,4,5-trimethylpiperazin-1-yl)ethyl]cyclopentyl]methanol

C15H31N3O — CID 114540899

IUPAC[1-amino-2-[2-(3,4,5-trimethylpiperazin-1-yl)ethyl]cyclopentyl]methanol
SMILESCC1CN(CCC2CCCC2(N)CO)CC(C)N1C
InChIInChI=1S/C15H31N3O/c1-12-9-18(10-13(2)17(12)3)8-6-14-5-4-7-15(14,16)11-19/h12-14,19H,4-11,16H2,1-3H3
InChIKeyGEULISIUVYHIEU-UHFFFAOYSA-N
MW269.43 g/mol
LogP0.89
Rot. Bonds4

About [1-amino-2-[2-(3,4,5-trimethylpiperazin-1-yl)ethyl]cyclopentyl]methanol

[1-amino-2-[2-(3,4,5-trimethylpiperazin-1-yl)ethyl]cyclopentyl]methanol (PubChem CID 114540899) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is [1-amino-2-[2-(3,4,5-trimethylpiperazin-1-yl)ethyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-amino-2-[2-(3,4,5-trimethylpiperazin-1-yl)ethyl]cyclopentyl]methanol
PubChem CID114540899
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name[1-amino-2-[2-(3,4,5-trimethylpiperazin-1-yl)ethyl]cyclopentyl]methanol
SMILESCC1CN(CCC2CCCC2(N)CO)CC(C)N1C
InChIInChI=1S/C15H31N3O/c1-12-9-18(10-13(2)17(12)3)8-6-14-5-4-7-15(14,16)11-19/h12-14,19H,4-11,16H2,1-3H3
InChIKeyGEULISIUVYHIEU-UHFFFAOYSA-N
XLogP0.89
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-amino-2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentyl]methanol
CID 79571069
[1-amino-2-[2-(4,4-dimethylazepan-1-yl)ethyl]cyclopentyl]methanol
CID 79571817
[1-amino-2-[2-(2,5-dimethylmorpholin-4-yl)ethyl]cyclopentyl]methanol
CID 79571094
[1-amino-2-[2-(3,3,4-trimethylpiperazin-1-yl)ethyl]cyclopentyl]methanol
CID 79571982
1-amino-2-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]cyclopentane-1-carboxylic acid
CID 79570983
[1-amino-2-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]cyclopentyl]methanol
CID 79571172
[1-amino-2-[2-[cyclopropylmethyl(propan-2-yl)amino]ethyl]cyclopentyl]methanol
CID 79571460
[1-amino-2-[2-(4-chloro-3-methylpyrazol-1-yl)ethyl]cyclopentyl]methanol
CID 79581981
[1-amino-2-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]cyclopentyl]methanol
CID 79581671
[1-amino-2-[2-(4,4-dimethylcyclohexyl)oxyethyl]cyclopentyl]methanol
CID 114342765
[1-amino-2-(2-butan-2-ylsulfanylethyl)cyclopentyl]methanol
CID 79581045
[1-amino-2-[2-[methyl-(4-methylcyclohexyl)amino]ethyl]cyclopentyl]methanol
CID 79570968

Frequently Asked Questions

What is the IUPAC name of [1-amino-2-[2-(3,4,5-trimethylpiperazin-1-yl)ethyl]cyclopentyl]methanol?
The IUPAC name of [1-amino-2-[2-(3,4,5-trimethylpiperazin-1-yl)ethyl]cyclopentyl]methanol (CID 114540899) is [1-amino-2-[2-(3,4,5-trimethylpiperazin-1-yl)ethyl]cyclopentyl]methanol.
What is the SMILES notation for [1-amino-2-[2-(3,4,5-trimethylpiperazin-1-yl)ethyl]cyclopentyl]methanol?
The canonical SMILES for [1-amino-2-[2-(3,4,5-trimethylpiperazin-1-yl)ethyl]cyclopentyl]methanol is CC1CN(CCC2CCCC2(N)CO)CC(C)N1C.
What is the InChIKey of [1-amino-2-[2-(3,4,5-trimethylpiperazin-1-yl)ethyl]cyclopentyl]methanol?
The InChIKey is GEULISIUVYHIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-12-9-18(10-13(2)17(12)3)8-6-14-5-4-7-15(14,16)11-19/h12-14,19H,4-11,16H2,1-3H3.
What are the key properties of [1-amino-2-[2-(3,4,5-trimethylpiperazin-1-yl)ethyl]cyclopentyl]methanol?
[1-amino-2-[2-(3,4,5-trimethylpiperazin-1-yl)ethyl]cyclopentyl]methanol has a molecular weight of 269.43 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-2-[2-(3,4,5-trimethylpiperazin-1-yl)ethyl]cyclopentyl]methanol is sourced from PubChem (CID 114540899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).