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

C17H33N3O — CID 115437590

IUPAC[1-(aminomethyl)cyclohexyl]-[4-(3-methylbutyl)piperazin-1-yl]methanone
SMILESCC(C)CCN1CCN(C(=O)C2(CN)CCCCC2)CC1
InChIInChI=1S/C17H33N3O/c1-15(2)6-9-19-10-12-20(13-11-19)16(21)17(14-18)7-4-3-5-8-17/h15H,3-14,18H2,1-2H3
InChIKeyZBFMGMZUFMPCQC-UHFFFAOYSA-N
MW295.47 g/mol
LogP2.09
Rot. Bonds5

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

[1-(aminomethyl)cyclohexyl]-[4-(3-methylbutyl)piperazin-1-yl]methanone (PubChem CID 115437590) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is [1-(aminomethyl)cyclohexyl]-[4-(3-methylbutyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(aminomethyl)cyclohexyl]-[4-(3-methylbutyl)piperazin-1-yl]methanone
PubChem CID115437590
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name[1-(aminomethyl)cyclohexyl]-[4-(3-methylbutyl)piperazin-1-yl]methanone
SMILESCC(C)CCN1CCN(C(=O)C2(CN)CCCCC2)CC1
InChIInChI=1S/C17H33N3O/c1-15(2)6-9-19-10-12-20(13-11-19)16(21)17(14-18)7-4-3-5-8-17/h15H,3-14,18H2,1-2H3
InChIKeyZBFMGMZUFMPCQC-UHFFFAOYSA-N
XLogP2.09
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(aminomethyl)cyclopentyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 55038317
[1-(aminomethyl)cyclopentyl]-(azepan-1-yl)methanone;hydrochloride
CID 119669538
[1-(aminomethyl)cyclohexyl]-(3,4-dimethylpiperazin-1-yl)methanone
CID 63609214
3-amino-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one
CID 60963917
2-(1-aminocyclobutyl)-1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
CID 79854884
2-[4-[1-(aminomethyl)cyclopentanecarbonyl]-1,4-diazepan-1-yl]acetic acid
CID 115435248
[1-(aminomethyl)cyclopropyl]-piperidin-1-ylmethanone
CID 80587175
1-[4-[1-(aminomethyl)cyclopropanecarbonyl]piperazin-1-yl]-2-methylpropan-1-one
CID 115452797
ethane;1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
CID 155574433
[4-(aminomethyl)-4-methylpiperidin-1-yl]-[1-(2-methylpropyl)cyclopentyl]methanone
CID 107160172
(2-ethylpyrrolidin-2-yl)-[4-(3-methylbutyl)piperazin-1-yl]methanone
CID 83072515
2-chloro-1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
CID 60808366

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclohexyl]-[4-(3-methylbutyl)piperazin-1-yl]methanone?
The IUPAC name of [1-(aminomethyl)cyclohexyl]-[4-(3-methylbutyl)piperazin-1-yl]methanone (CID 115437590) is [1-(aminomethyl)cyclohexyl]-[4-(3-methylbutyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-(aminomethyl)cyclohexyl]-[4-(3-methylbutyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-(aminomethyl)cyclohexyl]-[4-(3-methylbutyl)piperazin-1-yl]methanone is CC(C)CCN1CCN(C(=O)C2(CN)CCCCC2)CC1.
What is the InChIKey of [1-(aminomethyl)cyclohexyl]-[4-(3-methylbutyl)piperazin-1-yl]methanone?
The InChIKey is ZBFMGMZUFMPCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-15(2)6-9-19-10-12-20(13-11-19)16(21)17(14-18)7-4-3-5-8-17/h15H,3-14,18H2,1-2H3.
What are the key properties of [1-(aminomethyl)cyclohexyl]-[4-(3-methylbutyl)piperazin-1-yl]methanone?
[1-(aminomethyl)cyclohexyl]-[4-(3-methylbutyl)piperazin-1-yl]methanone has a molecular weight of 295.47 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclohexyl]-[4-(3-methylbutyl)piperazin-1-yl]methanone is sourced from PubChem (CID 115437590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).