N-[(4-bromophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine

C14H22BrN3 — CID 63897217

IUPACN-[(4-bromophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
SMILESCN1CCN(C)C(CNCc2ccc(Br)cc2)C1
InChIInChI=1S/C14H22BrN3/c1-17-7-8-18(2)14(11-17)10-16-9-12-3-5-13(15)6-4-12/h3-6,14,16H,7-11H2,1-2H3
InChIKeyPCKHMTUVLGSQCD-UHFFFAOYSA-N
MW312.25 g/mol
LogP1.78
Rot. Bonds4

About N-[(4-bromophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine

N-[(4-bromophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine (PubChem CID 63897217) has the molecular formula C14H22BrN3 and a molecular weight of 312.25 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
PubChem CID63897217
Molecular FormulaC14H22BrN3
Molecular Weight312.25 g/mol
Exact Mass311.10
IUPAC NameN-[(4-bromophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
SMILESCN1CCN(C)C(CNCc2ccc(Br)cc2)C1
InChIInChI=1S/C14H22BrN3/c1-17-7-8-18(2)14(11-17)10-16-9-12-3-5-13(15)6-4-12/h3-6,14,16H,7-11H2,1-2H3
InChIKeyPCKHMTUVLGSQCD-UHFFFAOYSA-N
XLogP1.78
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-dibromophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
CID 115693200
N-[(4-cyclopropylphenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
CID 79984609
1-[(2S)-1,4-dimethylpiperazin-2-yl]-N-[[4-(2-methylpropyl)phenyl]methyl]methanamine
CID 97053955
1-(1,4-dimethylpiperazin-2-yl)-N-[(4-methylsulfanylphenyl)methyl]methanamine
CID 63898350
4-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]benzamide
CID 63898951
N-[(3,4-dichlorophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
CID 63897594
N-(1,3-benzodioxol-5-ylmethyl)-1-(1,4-dimethylpiperazin-2-yl)methanamine
CID 63897058
3-(4-bromophenyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]cyclobutan-1-amine
CID 63897610
1-(1,4-dimethylpiperazin-2-yl)-N-[(3-fluorophenyl)methyl]methanamine
CID 63898562
1-(1,4-dimethylpiperazin-2-yl)-N-[(6-methoxy-3-pyridinyl)methyl]methanamine
CID 114936760
1-(4-bromophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-one
CID 115414660
N-[(4-bromophenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine
CID 115238651

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine?
The IUPAC name of N-[(4-bromophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine (CID 63897217) is N-[(4-bromophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine is CN1CCN(C)C(CNCc2ccc(Br)cc2)C1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine?
The InChIKey is PCKHMTUVLGSQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3/c1-17-7-8-18(2)14(11-17)10-16-9-12-3-5-13(15)6-4-12/h3-6,14,16H,7-11H2,1-2H3.
What are the key properties of N-[(4-bromophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine?
N-[(4-bromophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine has a molecular weight of 312.25 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine is sourced from PubChem (CID 63897217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).