2-(aminomethyl)-1-(4-butan-2-ylpiperazin-1-yl)pentan-1-one

C14H29N3O — CID 62773291

IUPAC2-(aminomethyl)-1-(4-butan-2-ylpiperazin-1-yl)pentan-1-one
SMILESCCCC(CN)C(=O)N1CCN(C(C)CC)CC1
InChIInChI=1S/C14H29N3O/c1-4-6-13(11-15)14(18)17-9-7-16(8-10-17)12(3)5-2/h12-13H,4-11,15H2,1-3H3
InChIKeyYHZBRBHZZVKQFH-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.30
Rot. Bonds6

About 2-(aminomethyl)-1-(4-butan-2-ylpiperazin-1-yl)pentan-1-one

2-(aminomethyl)-1-(4-butan-2-ylpiperazin-1-yl)pentan-1-one (PubChem CID 62773291) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(4-butan-2-ylpiperazin-1-yl)pentan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-1-(4-butan-2-ylpiperazin-1-yl)pentan-1-one
PubChem CID62773291
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name2-(aminomethyl)-1-(4-butan-2-ylpiperazin-1-yl)pentan-1-one
SMILESCCCC(CN)C(=O)N1CCN(C(C)CC)CC1
InChIInChI=1S/C14H29N3O/c1-4-6-13(11-15)14(18)17-9-7-16(8-10-17)12(3)5-2/h12-13H,4-11,15H2,1-3H3
InChIKeyYHZBRBHZZVKQFH-UHFFFAOYSA-N
XLogP1.30
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-1-[4-(1-hydroxyethyl)piperidin-1-yl]pentan-1-one
CID 106835724
2-(aminomethyl)-1-[4-(2-methoxyacetyl)piperazin-1-yl]pentan-1-one
CID 65227640
2-(aminomethyl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-one
CID 62968051
1-[4-(3-amino-2-methylpropyl)piperazin-1-yl]-2-propylpentan-1-one
CID 82984066
1-(4-propan-2-ylpiperazin-1-yl)-2-propylhexan-1-one
CID 166996653
[1-(aminomethyl)cyclopropyl]-(4-butan-2-ylpiperazin-1-yl)methanone
CID 80588050
2-(aminomethyl)-1-(4,4-dimethylazepan-1-yl)pentan-1-one
CID 65281608
2-amino-1-(4-butan-2-ylpiperazin-1-yl)-4-methylsulfonylbutan-1-one
CID 62777769
2-(aminomethyl)-1-(4-methylazepan-1-yl)pentan-1-one
CID 63622647
2-[4-[2-(aminomethyl)pentanoyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide
CID 65227502
4-butan-2-ylpiperazine-1-carbonyl chloride
CID 79887170
1-[2-(aminomethyl)pentanoyl]-4-propylpiperidine-4-carboxylic acid
CID 65228065

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(4-butan-2-ylpiperazin-1-yl)pentan-1-one?
The IUPAC name of 2-(aminomethyl)-1-(4-butan-2-ylpiperazin-1-yl)pentan-1-one (CID 62773291) is 2-(aminomethyl)-1-(4-butan-2-ylpiperazin-1-yl)pentan-1-one.
What is the SMILES notation for 2-(aminomethyl)-1-(4-butan-2-ylpiperazin-1-yl)pentan-1-one?
The canonical SMILES for 2-(aminomethyl)-1-(4-butan-2-ylpiperazin-1-yl)pentan-1-one is CCCC(CN)C(=O)N1CCN(C(C)CC)CC1.
What is the InChIKey of 2-(aminomethyl)-1-(4-butan-2-ylpiperazin-1-yl)pentan-1-one?
The InChIKey is YHZBRBHZZVKQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-4-6-13(11-15)14(18)17-9-7-16(8-10-17)12(3)5-2/h12-13H,4-11,15H2,1-3H3.
What are the key properties of 2-(aminomethyl)-1-(4-butan-2-ylpiperazin-1-yl)pentan-1-one?
2-(aminomethyl)-1-(4-butan-2-ylpiperazin-1-yl)pentan-1-one has a molecular weight of 255.41 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-(4-butan-2-ylpiperazin-1-yl)pentan-1-one is sourced from PubChem (CID 62773291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).