(4-aminocyclohexyl)-[4-(3-methylbutyl)piperazin-1-yl]methanone

C16H31N3O — CID 60964122

IUPAC(4-aminocyclohexyl)-[4-(3-methylbutyl)piperazin-1-yl]methanone
SMILESCC(C)CCN1CCN(C(=O)C2CCC(N)CC2)CC1
InChIInChI=1S/C16H31N3O/c1-13(2)7-8-18-9-11-19(12-10-18)16(20)14-3-5-15(17)6-4-14/h13-15H,3-12,17H2,1-2H3
InChIKeyGUZUKLYRBNSLAD-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.69
Rot. Bonds4

About (4-aminocyclohexyl)-[4-(3-methylbutyl)piperazin-1-yl]methanone

(4-aminocyclohexyl)-[4-(3-methylbutyl)piperazin-1-yl]methanone (PubChem CID 60964122) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is (4-aminocyclohexyl)-[4-(3-methylbutyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-aminocyclohexyl)-[4-(3-methylbutyl)piperazin-1-yl]methanone
PubChem CID60964122
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name(4-aminocyclohexyl)-[4-(3-methylbutyl)piperazin-1-yl]methanone
SMILESCC(C)CCN1CCN(C(=O)C2CCC(N)CC2)CC1
InChIInChI=1S/C16H31N3O/c1-13(2)7-8-18-9-11-19(12-10-18)16(20)14-3-5-15(17)6-4-14/h13-15H,3-12,17H2,1-2H3
InChIKeyGUZUKLYRBNSLAD-UHFFFAOYSA-N
XLogP1.69
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohexyl-[4-(3-methylbutyl)piperazin-1-yl]methanone
CID 113074992
(4-aminocyclohexyl)-(4-propylpiperazin-1-yl)methanone
CID 60847754
(3-aminocyclopentyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone;dihydrochloride
CID 119831557
1-[4-(4-aminocyclohexanecarbonyl)piperazin-1-yl]ethanone
CID 60894221
1-[4-(3-methylbutyl)piperazin-1-yl]-2-[1-(2-methylpropyl)piperidin-4-yl]ethanone;[4-(3-methylbutyl)piperazin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone;2-methyl-1-[4-[1-(2-methylpropyl)piperidine-4-carbonyl]piperazin-1-yl]propan-1-one;2-methyl-1-[4-[2-[1-(2-methylpropyl)piperidin-4-yl]acetyl]piperazin-1-yl]propan-1-one;1-[4-(2-methylpropyl)piperazin-1-yl]-2-[1-(2-methylpropyl)piperidin-4-yl]ethanone;[4-(2-methylpropyl)piperazin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone
CID 167593861
[4-(aminomethyl)cyclohexyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 62808544
(1-methylpiperidin-4-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 165146139
cyclopropyl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 82113410
ethane;1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
CID 155574433
cyclohexyl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 113072857
[4-(4-aminobutyl)piperazin-1-yl]-cyclopropylmethanone
CID 43251850
2-amino-2-cyclopropyl-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one
CID 54873596

Frequently Asked Questions

What is the IUPAC name of (4-aminocyclohexyl)-[4-(3-methylbutyl)piperazin-1-yl]methanone?
The IUPAC name of (4-aminocyclohexyl)-[4-(3-methylbutyl)piperazin-1-yl]methanone (CID 60964122) is (4-aminocyclohexyl)-[4-(3-methylbutyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-aminocyclohexyl)-[4-(3-methylbutyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-aminocyclohexyl)-[4-(3-methylbutyl)piperazin-1-yl]methanone is CC(C)CCN1CCN(C(=O)C2CCC(N)CC2)CC1.
What is the InChIKey of (4-aminocyclohexyl)-[4-(3-methylbutyl)piperazin-1-yl]methanone?
The InChIKey is GUZUKLYRBNSLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-13(2)7-8-18-9-11-19(12-10-18)16(20)14-3-5-15(17)6-4-14/h13-15H,3-12,17H2,1-2H3.
What are the key properties of (4-aminocyclohexyl)-[4-(3-methylbutyl)piperazin-1-yl]methanone?
(4-aminocyclohexyl)-[4-(3-methylbutyl)piperazin-1-yl]methanone has a molecular weight of 281.44 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminocyclohexyl)-[4-(3-methylbutyl)piperazin-1-yl]methanone is sourced from PubChem (CID 60964122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).