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

C16H25N3O — CID 62591369

IUPAC[3-(2-aminoethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2cccc(CCN)c2)CC1
InChIInChI=1S/C16H25N3O/c1-13(2)18-8-10-19(11-9-18)16(20)15-5-3-4-14(12-15)6-7-17/h3-5,12-13H,6-11,17H2,1-2H3
InChIKeySYLPWAMLVCCRHB-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.35
Rot. Bonds4

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

[3-(2-aminoethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 62591369) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is [3-(2-aminoethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-(2-aminoethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID62591369
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name[3-(2-aminoethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2cccc(CCN)c2)CC1
InChIInChI=1S/C16H25N3O/c1-13(2)18-8-10-19(11-9-18)16(20)15-5-3-4-14(12-15)6-7-17/h3-5,12-13H,6-11,17H2,1-2H3
InChIKeySYLPWAMLVCCRHB-UHFFFAOYSA-N
XLogP1.35
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 ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(aminomethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 43584943
1-[3-(2-aminoethyl)benzoyl]piperidine-4-carboxamide
CID 62593665
[3-(2-aminoethyl)phenyl]-(4-ethoxypiperidin-1-yl)methanone
CID 62594027
(4-methylpiperazin-1-yl)-(3-propylphenyl)methanone
CID 70962080
[4-(1-aminopropan-2-yl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 63337612
3-(2-aminoethyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 62593153
[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
[5-[4-(2-aminoethyl)phenoxy]-2-fluorophenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 171388740
[4-(1-aminopropan-2-yl)piperazin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 63337833
2-[4-(3-chlorobenzoyl)piperazin-1-yl]propanoic acid
CID 62317082
(4-butan-2-ylpiperazin-1-yl)-(3-hydroxyphenyl)methanone
CID 55116787

Frequently Asked Questions

What is the IUPAC name of [3-(2-aminoethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [3-(2-aminoethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone (CID 62591369) is [3-(2-aminoethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-(2-aminoethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [3-(2-aminoethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone is CC(C)N1CCN(C(=O)c2cccc(CCN)c2)CC1.
What is the InChIKey of [3-(2-aminoethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is SYLPWAMLVCCRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-13(2)18-8-10-19(11-9-18)16(20)15-5-3-4-14(12-15)6-7-17/h3-5,12-13H,6-11,17H2,1-2H3.
What are the key properties of [3-(2-aminoethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
[3-(2-aminoethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 275.40 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-aminoethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 62591369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).