[3-(aminomethyl)phenyl]-(4-cyclopropylpiperazin-1-yl)methanone

C15H21N3O — CID 61439888

IUPAC[3-(aminomethyl)phenyl]-(4-cyclopropylpiperazin-1-yl)methanone
SMILESNCc1cccc(C(=O)N2CCN(C3CC3)CC2)c1
InChIInChI=1S/C15H21N3O/c16-11-12-2-1-3-13(10-12)15(19)18-8-6-17(7-9-18)14-4-5-14/h1-3,10,14H,4-9,11,16H2
InChIKeyHRPMQEBJCFSFPQ-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.07
Rot. Bonds3

About [3-(aminomethyl)phenyl]-(4-cyclopropylpiperazin-1-yl)methanone

[3-(aminomethyl)phenyl]-(4-cyclopropylpiperazin-1-yl)methanone (PubChem CID 61439888) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is [3-(aminomethyl)phenyl]-(4-cyclopropylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-(aminomethyl)phenyl]-(4-cyclopropylpiperazin-1-yl)methanone
PubChem CID61439888
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name[3-(aminomethyl)phenyl]-(4-cyclopropylpiperazin-1-yl)methanone
SMILESNCc1cccc(C(=O)N2CCN(C3CC3)CC2)c1
InChIInChI=1S/C15H21N3O/c16-11-12-2-1-3-13(10-12)15(19)18-8-6-17(7-9-18)14-4-5-14/h1-3,10,14H,4-9,11,16H2
InChIKeyHRPMQEBJCFSFPQ-UHFFFAOYSA-N
XLogP1.07
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(aminomethyl)phenyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 63168351
(3-aminophenyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 54904602
[3-(aminomethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 43584943
[3-(aminomethyl)phenyl]-(4-methylazepan-1-yl)methanone
CID 63622383
[3-(aminomethyl)phenyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 102978293
(4-cyclopentylpiperazin-1-yl)-[3-(methylsulfinylmethyl)phenyl]methanone
CID 134020797
[3-(aminomethyl)phenyl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 28744968
N-[[1-[3-(aminomethyl)benzoyl]piperidin-4-yl]methyl]acetamide
CID 102735859
[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
(4-cyclopropylpiperazin-1-yl)-naphthalen-2-ylmethanone
CID 35280934
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-benzylphenyl)methanone
CID 139986726

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)phenyl]-(4-cyclopropylpiperazin-1-yl)methanone?
The IUPAC name of [3-(aminomethyl)phenyl]-(4-cyclopropylpiperazin-1-yl)methanone (CID 61439888) is [3-(aminomethyl)phenyl]-(4-cyclopropylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-(aminomethyl)phenyl]-(4-cyclopropylpiperazin-1-yl)methanone?
The canonical SMILES for [3-(aminomethyl)phenyl]-(4-cyclopropylpiperazin-1-yl)methanone is NCc1cccc(C(=O)N2CCN(C3CC3)CC2)c1.
What is the InChIKey of [3-(aminomethyl)phenyl]-(4-cyclopropylpiperazin-1-yl)methanone?
The InChIKey is HRPMQEBJCFSFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c16-11-12-2-1-3-13(10-12)15(19)18-8-6-17(7-9-18)14-4-5-14/h1-3,10,14H,4-9,11,16H2.
What are the key properties of [3-(aminomethyl)phenyl]-(4-cyclopropylpiperazin-1-yl)methanone?
[3-(aminomethyl)phenyl]-(4-cyclopropylpiperazin-1-yl)methanone has a molecular weight of 259.35 g/mol, XLogP of 1.07, 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-cyclopropylpiperazin-1-yl)methanone is sourced from PubChem (CID 61439888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).