[4-(1-aminobutan-2-yl)piperazin-1-yl]-(2-methylphenyl)methanone

C16H25N3O — CID 63337883

IUPAC[4-(1-aminobutan-2-yl)piperazin-1-yl]-(2-methylphenyl)methanone
SMILESCCC(CN)N1CCN(C(=O)c2ccccc2C)CC1
InChIInChI=1S/C16H25N3O/c1-3-14(12-17)18-8-10-19(11-9-18)16(20)15-7-5-4-6-13(15)2/h4-7,14H,3,8-12,17H2,1-2H3
InChIKeyHBAMVFORZJPAGA-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.49
Rot. Bonds4

About [4-(1-aminobutan-2-yl)piperazin-1-yl]-(2-methylphenyl)methanone

[4-(1-aminobutan-2-yl)piperazin-1-yl]-(2-methylphenyl)methanone (PubChem CID 63337883) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is [4-(1-aminobutan-2-yl)piperazin-1-yl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(1-aminobutan-2-yl)piperazin-1-yl]-(2-methylphenyl)methanone
PubChem CID63337883
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name[4-(1-aminobutan-2-yl)piperazin-1-yl]-(2-methylphenyl)methanone
SMILESCCC(CN)N1CCN(C(=O)c2ccccc2C)CC1
InChIInChI=1S/C16H25N3O/c1-3-14(12-17)18-8-10-19(11-9-18)16(20)15-7-5-4-6-13(15)2/h4-7,14H,3,8-12,17H2,1-2H3
InChIKeyHBAMVFORZJPAGA-UHFFFAOYSA-N
XLogP1.49
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1-aminobutan-2-yl)piperazin-1-yl]-(2-fluoro-3-methylphenyl)methanone
CID 81479698
2-[4-(2-methylbenzoyl)piperazin-1-yl]butanethioamide
CID 63340347
2-ethyl-1-[4-(2-methylbenzoyl)piperazin-1-yl]butan-1-one
CID 110365362
ethyl 4-(2-methylbenzoyl)piperazine-1-carboxylate
CID 969363
[4-(1-aminobutan-2-yl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 55201001
[4-(1-hydroxypropyl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 112537576
ethyl 3-[4-(2-methylbenzoyl)piperazin-1-yl]-3-oxopropanoate
CID 58032917
(2-methylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 904148
1-[4-(2-methylbenzoyl)piperazin-1-yl]butan-1-one
CID 110365357
1-[4-(1-aminobutan-2-yl)piperazin-1-yl]-3-phenylpropan-1-one
CID 63337793
[4-(1-aminobutan-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 63341292
azepan-1-yl-(2-methylphenyl)methanone
CID 4616576

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminobutan-2-yl)piperazin-1-yl]-(2-methylphenyl)methanone?
The IUPAC name of [4-(1-aminobutan-2-yl)piperazin-1-yl]-(2-methylphenyl)methanone (CID 63337883) is [4-(1-aminobutan-2-yl)piperazin-1-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [4-(1-aminobutan-2-yl)piperazin-1-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [4-(1-aminobutan-2-yl)piperazin-1-yl]-(2-methylphenyl)methanone is CCC(CN)N1CCN(C(=O)c2ccccc2C)CC1.
What is the InChIKey of [4-(1-aminobutan-2-yl)piperazin-1-yl]-(2-methylphenyl)methanone?
The InChIKey is HBAMVFORZJPAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-14(12-17)18-8-10-19(11-9-18)16(20)15-7-5-4-6-13(15)2/h4-7,14H,3,8-12,17H2,1-2H3.
What are the key properties of [4-(1-aminobutan-2-yl)piperazin-1-yl]-(2-methylphenyl)methanone?
[4-(1-aminobutan-2-yl)piperazin-1-yl]-(2-methylphenyl)methanone has a molecular weight of 275.40 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminobutan-2-yl)piperazin-1-yl]-(2-methylphenyl)methanone is sourced from PubChem (CID 63337883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).