[3-(aminomethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone

C15H23N3O — CID 43584943

IUPAC[3-(aminomethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2cccc(CN)c2)CC1
InChIInChI=1S/C15H23N3O/c1-12(2)17-6-8-18(9-7-17)15(19)14-5-3-4-13(10-14)11-16/h3-5,10,12H,6-9,11,16H2,1-2H3
InChIKeyNDWVKZUTWZVJKT-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.31
Rot. Bonds3

About [3-(aminomethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone

[3-(aminomethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 43584943) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is [3-(aminomethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-(aminomethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID43584943
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name[3-(aminomethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2cccc(CN)c2)CC1
InChIInChI=1S/C15H23N3O/c1-12(2)17-6-8-18(9-7-17)15(19)14-5-3-4-13(10-14)11-16/h3-5,10,12H,6-9,11,16H2,1-2H3
InChIKeyNDWVKZUTWZVJKT-UHFFFAOYSA-N
XLogP1.31
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2-aminoethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 62591369
[3-(aminomethyl)phenyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 102978293
[3-(aminomethyl)phenyl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 28744968
[3-(aminomethyl)phenyl]-(4-cyclopropylpiperazin-1-yl)methanone
CID 61439888
[3-(aminomethyl)phenyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 63157358
[3-(aminomethyl)phenyl]-(4-methylazepan-1-yl)methanone
CID 63622383
[4-(1-aminopropan-2-yl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 63337612
[3-(aminomethyl)phenyl]-(3-azaspiro[5.5]undecan-3-yl)methanone
CID 62936686
[3-(aminomethyl)phenyl]-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 107211774
N-[[1-[3-(aminomethyl)benzoyl]piperidin-4-yl]methyl]acetamide
CID 102735859
[4-(4-amino-2-fluoro-6-methylphenyl)piperazin-1-yl]-[3-(aminomethyl)phenyl]methanone
CID 143096281
[4-(1-aminopropan-2-yl)piperazin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 63337833

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [3-(aminomethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone (CID 43584943) is [3-(aminomethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-(aminomethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [3-(aminomethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone is CC(C)N1CCN(C(=O)c2cccc(CN)c2)CC1.
What is the InChIKey of [3-(aminomethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is NDWVKZUTWZVJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-12(2)17-6-8-18(9-7-17)15(19)14-5-3-4-13(10-14)11-16/h3-5,10,12H,6-9,11,16H2,1-2H3.
What are the key properties of [3-(aminomethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
[3-(aminomethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 261.37 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 43584943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).