1-amino-4-(4-cyclopentylpiperazin-1-yl)butan-2-ol

C13H27N3O — CID 64821605

IUPAC1-amino-4-(4-cyclopentylpiperazin-1-yl)butan-2-ol
SMILESNCC(O)CCN1CCN(C2CCCC2)CC1
InChIInChI=1S/C13H27N3O/c14-11-13(17)5-6-15-7-9-16(10-8-15)12-3-1-2-4-12/h12-13,17H,1-11,14H2
InChIKeyQWIPRLFMUIBDQT-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.26
Rot. Bonds5

About 1-amino-4-(4-cyclopentylpiperazin-1-yl)butan-2-ol

1-amino-4-(4-cyclopentylpiperazin-1-yl)butan-2-ol (PubChem CID 64821605) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 1-amino-4-(4-cyclopentylpiperazin-1-yl)butan-2-ol.

Molecular Properties

Compound Name1-amino-4-(4-cyclopentylpiperazin-1-yl)butan-2-ol
PubChem CID64821605
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name1-amino-4-(4-cyclopentylpiperazin-1-yl)butan-2-ol
SMILESNCC(O)CCN1CCN(C2CCCC2)CC1
InChIInChI=1S/C13H27N3O/c14-11-13(17)5-6-15-7-9-16(10-8-15)12-3-1-2-4-12/h12-13,17H,1-11,14H2
InChIKeyQWIPRLFMUIBDQT-UHFFFAOYSA-N
XLogP0.26
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-cyclopentylpiperazin-1-yl)-4,4-dimethylpentan-3-amine
CID 55098190
3-(4-cyclohexylpiperazin-1-yl)propan-1-amine
CID 12043292
1-amino-4-[4-(dimethylamino)piperidin-1-yl]butan-2-ol
CID 64821111
1-cyclopentyl-4-(3,3-diethoxypropyl)piperazine
CID 63629128
1-(2-chloroethyl)-4-cyclopentylpiperazine
CID 4741622
1-amino-4-(4-propylazepan-1-yl)butan-2-ol
CID 64821373
(2S)-1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propan-2-ol
CID 103935255
1-(4-cyclopropylpiperazin-1-yl)-4,4-dimethylpentan-3-ol
CID 62623930
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-cyclopropylethanol
CID 79943771
2-[3-(4-cyclopentylpiperazin-1-yl)propoxy]ethanamine
CID 112739137
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-cyclopropylethanol
CID 79934886
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-3-methylbutan-1-amine
CID 79935214

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(4-cyclopentylpiperazin-1-yl)butan-2-ol?
The IUPAC name of 1-amino-4-(4-cyclopentylpiperazin-1-yl)butan-2-ol (CID 64821605) is 1-amino-4-(4-cyclopentylpiperazin-1-yl)butan-2-ol.
What is the SMILES notation for 1-amino-4-(4-cyclopentylpiperazin-1-yl)butan-2-ol?
The canonical SMILES for 1-amino-4-(4-cyclopentylpiperazin-1-yl)butan-2-ol is NCC(O)CCN1CCN(C2CCCC2)CC1.
What is the InChIKey of 1-amino-4-(4-cyclopentylpiperazin-1-yl)butan-2-ol?
The InChIKey is QWIPRLFMUIBDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c14-11-13(17)5-6-15-7-9-16(10-8-15)12-3-1-2-4-12/h12-13,17H,1-11,14H2.
What are the key properties of 1-amino-4-(4-cyclopentylpiperazin-1-yl)butan-2-ol?
1-amino-4-(4-cyclopentylpiperazin-1-yl)butan-2-ol has a molecular weight of 241.38 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(4-cyclopentylpiperazin-1-yl)butan-2-ol is sourced from PubChem (CID 64821605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).