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

C15H31N3O — CID 79571982

IUPAC[1-amino-2-[2-(3,3,4-trimethylpiperazin-1-yl)ethyl]cyclopentyl]methanol
SMILESCN1CCN(CCC2CCCC2(N)CO)CC1(C)C
InChIInChI=1S/C15H31N3O/c1-14(2)11-18(10-9-17(14)3)8-6-13-5-4-7-15(13,16)12-19/h13,19H,4-12,16H2,1-3H3
InChIKeyORKXCKNKPNJUQP-UHFFFAOYSA-N
MW269.43 g/mol
LogP0.89
Rot. Bonds4

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

[1-amino-2-[2-(3,3,4-trimethylpiperazin-1-yl)ethyl]cyclopentyl]methanol (PubChem CID 79571982) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is [1-amino-2-[2-(3,3,4-trimethylpiperazin-1-yl)ethyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-amino-2-[2-(3,3,4-trimethylpiperazin-1-yl)ethyl]cyclopentyl]methanol
PubChem CID79571982
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name[1-amino-2-[2-(3,3,4-trimethylpiperazin-1-yl)ethyl]cyclopentyl]methanol
SMILESCN1CCN(CCC2CCCC2(N)CO)CC1(C)C
InChIInChI=1S/C15H31N3O/c1-14(2)11-18(10-9-17(14)3)8-6-13-5-4-7-15(13,16)12-19/h13,19H,4-12,16H2,1-3H3
InChIKeyORKXCKNKPNJUQP-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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Frequently Asked Questions

What is the IUPAC name of [1-amino-2-[2-(3,3,4-trimethylpiperazin-1-yl)ethyl]cyclopentyl]methanol?
The IUPAC name of [1-amino-2-[2-(3,3,4-trimethylpiperazin-1-yl)ethyl]cyclopentyl]methanol (CID 79571982) is [1-amino-2-[2-(3,3,4-trimethylpiperazin-1-yl)ethyl]cyclopentyl]methanol.
What is the SMILES notation for [1-amino-2-[2-(3,3,4-trimethylpiperazin-1-yl)ethyl]cyclopentyl]methanol?
The canonical SMILES for [1-amino-2-[2-(3,3,4-trimethylpiperazin-1-yl)ethyl]cyclopentyl]methanol is CN1CCN(CCC2CCCC2(N)CO)CC1(C)C.
What is the InChIKey of [1-amino-2-[2-(3,3,4-trimethylpiperazin-1-yl)ethyl]cyclopentyl]methanol?
The InChIKey is ORKXCKNKPNJUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-14(2)11-18(10-9-17(14)3)8-6-13-5-4-7-15(13,16)12-19/h13,19H,4-12,16H2,1-3H3.
What are the key properties of [1-amino-2-[2-(3,3,4-trimethylpiperazin-1-yl)ethyl]cyclopentyl]methanol?
[1-amino-2-[2-(3,3,4-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-(3,3,4-trimethylpiperazin-1-yl)ethyl]cyclopentyl]methanol is sourced from PubChem (CID 79571982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).