[1-amino-3-(4-butan-2-ylpiperazin-1-yl)cyclohexyl]methanol

C15H31N3O — CID 79634360

IUPAC[1-amino-3-(4-butan-2-ylpiperazin-1-yl)cyclohexyl]methanol
SMILESCCC(C)N1CCN(C2CCCC(N)(CO)C2)CC1
InChIInChI=1S/C15H31N3O/c1-3-13(2)17-7-9-18(10-8-17)14-5-4-6-15(16,11-14)12-19/h13-14,19H,3-12,16H2,1-2H3
InChIKeyIOQCQIAPCXYKOR-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.03
Rot. Bonds4

About [1-amino-3-(4-butan-2-ylpiperazin-1-yl)cyclohexyl]methanol

[1-amino-3-(4-butan-2-ylpiperazin-1-yl)cyclohexyl]methanol (PubChem CID 79634360) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is [1-amino-3-(4-butan-2-ylpiperazin-1-yl)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-amino-3-(4-butan-2-ylpiperazin-1-yl)cyclohexyl]methanol
PubChem CID79634360
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name[1-amino-3-(4-butan-2-ylpiperazin-1-yl)cyclohexyl]methanol
SMILESCCC(C)N1CCN(C2CCCC(N)(CO)C2)CC1
InChIInChI=1S/C15H31N3O/c1-3-13(2)17-7-9-18(10-8-17)14-5-4-6-15(16,11-14)12-19/h13-14,19H,3-12,16H2,1-2H3
InChIKeyIOQCQIAPCXYKOR-UHFFFAOYSA-N
XLogP1.03
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 ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-3-(4-butan-2-ylpiperazin-1-yl)cyclohexane-1-carboxylic acid
CID 79642243
[1-amino-3-(4-propan-2-ylazepan-1-yl)cyclopentyl]methanol
CID 79656554
[1-amino-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]cyclohexyl]methanol
CID 79635510
[1-amino-3-(3,4-dimethylpiperazin-1-yl)cyclohexyl]methanol
CID 79634080
[1-amino-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanol
CID 79634375
[1-amino-3-[4-(methoxymethyl)piperidin-1-yl]cyclohexyl]methanol
CID 79634523
[1-amino-3-(3-ethylpiperidin-1-yl)cyclohexyl]methanol
CID 79640939
[3-(4-butan-2-ylpiperazin-1-yl)-1-(propylamino)cyclopentyl]methanol
CID 79646989
[1-amino-3-(4-ethylpiperazin-1-yl)cyclopentyl]methanol
CID 79656436
1-butan-2-yl-4-cyclohexylpiperazine;oxalic acid
CID 17369821
[1-amino-3-[4-(trifluoromethyl)piperidin-1-yl]cyclohexyl]methanol
CID 79641042
[1-amino-3-(3-propylpyrrolidin-1-yl)cyclohexyl]methanol
CID 113419340

Frequently Asked Questions

What is the IUPAC name of [1-amino-3-(4-butan-2-ylpiperazin-1-yl)cyclohexyl]methanol?
The IUPAC name of [1-amino-3-(4-butan-2-ylpiperazin-1-yl)cyclohexyl]methanol (CID 79634360) is [1-amino-3-(4-butan-2-ylpiperazin-1-yl)cyclohexyl]methanol.
What is the SMILES notation for [1-amino-3-(4-butan-2-ylpiperazin-1-yl)cyclohexyl]methanol?
The canonical SMILES for [1-amino-3-(4-butan-2-ylpiperazin-1-yl)cyclohexyl]methanol is CCC(C)N1CCN(C2CCCC(N)(CO)C2)CC1.
What is the InChIKey of [1-amino-3-(4-butan-2-ylpiperazin-1-yl)cyclohexyl]methanol?
The InChIKey is IOQCQIAPCXYKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-3-13(2)17-7-9-18(10-8-17)14-5-4-6-15(16,11-14)12-19/h13-14,19H,3-12,16H2,1-2H3.
What are the key properties of [1-amino-3-(4-butan-2-ylpiperazin-1-yl)cyclohexyl]methanol?
[1-amino-3-(4-butan-2-ylpiperazin-1-yl)cyclohexyl]methanol has a molecular weight of 269.43 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-3-(4-butan-2-ylpiperazin-1-yl)cyclohexyl]methanol is sourced from PubChem (CID 79634360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).