[4-(aminomethyl)phenyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone;dihydrochloride

C16H27Cl2N3O — CID 119831579

IUPAC[4-(aminomethyl)phenyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone;dihydrochloride
SMILESCC(C)CN1CCN(C(=O)c2ccc(CN)cc2)CC1.Cl.Cl
InChIInChI=1S/C16H25N3O.2ClH/c1-13(2)12-18-7-9-19(10-8-18)16(20)15-5-3-14(11-17)4-6-15;;/h3-6,13H,7-12,17H2,1-2H3;2*1H
InChIKeyFLAVDXNTJMCFCL-UHFFFAOYSA-N
MW348.32 g/mol
LogP2.40
Rot. Bonds4

About [4-(aminomethyl)phenyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone;dihydrochloride

[4-(aminomethyl)phenyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone;dihydrochloride (PubChem CID 119831579) has the molecular formula C16H27Cl2N3O and a molecular weight of 348.32 g/mol. Its IUPAC name is [4-(aminomethyl)phenyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name[4-(aminomethyl)phenyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone;dihydrochloride
PubChem CID119831579
Molecular FormulaC16H27Cl2N3O
Molecular Weight348.32 g/mol
Exact Mass347.15
IUPAC Name[4-(aminomethyl)phenyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone;dihydrochloride
SMILESCC(C)CN1CCN(C(=O)c2ccc(CN)cc2)CC1.Cl.Cl
InChIInChI=1S/C16H25N3O.2ClH/c1-13(2)12-18-7-9-19(10-8-18)16(20)15-5-3-14(11-17)4-6-15;;/h3-6,13H,7-12,17H2,1-2H3;2*1H
InChIKeyFLAVDXNTJMCFCL-UHFFFAOYSA-N
XLogP2.40
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-hydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 4740722
[4-(aminomethyl)phenyl]-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]methanone
CID 119880014
2-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-N-methylacetamide
CID 60937478
[4-(aminomethyl)phenyl]-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone
CID 119281929
[4-(aminomethyl)phenyl]-piperidin-1-ylmethanone
CID 7131263
2-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 119833975
(3-amino-4-chlorophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 60963176
[4-(aminomethyl)phenyl]-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]methanone;hydrochloride
CID 119282079
[4-(aminomethyl)phenyl]-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119301454
(6-fluoro-3-pyridinyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 63979723
[4-(aminomethyl)phenyl]-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methanone;hydrochloride
CID 119278584
(6-hydrazinyl-3-pyridinyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 62777869

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)phenyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone;dihydrochloride?
The IUPAC name of [4-(aminomethyl)phenyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone;dihydrochloride (CID 119831579) is [4-(aminomethyl)phenyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone;dihydrochloride.
What is the SMILES notation for [4-(aminomethyl)phenyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone;dihydrochloride?
The canonical SMILES for [4-(aminomethyl)phenyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone;dihydrochloride is CC(C)CN1CCN(C(=O)c2ccc(CN)cc2)CC1.Cl.Cl.
What is the InChIKey of [4-(aminomethyl)phenyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone;dihydrochloride?
The InChIKey is FLAVDXNTJMCFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O.2ClH/c1-13(2)12-18-7-9-19(10-8-18)16(20)15-5-3-14(11-17)4-6-15;;/h3-6,13H,7-12,17H2,1-2H3;2*1H.
What are the key properties of [4-(aminomethyl)phenyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone;dihydrochloride?
[4-(aminomethyl)phenyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone;dihydrochloride has a molecular weight of 348.32 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)phenyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 119831579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).