N-[(3,4-dichlorophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine

C14H21Cl2N3 — CID 63897594

IUPACN-[(3,4-dichlorophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
SMILESCN1CCN(C)C(CNCc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C14H21Cl2N3/c1-18-5-6-19(2)12(10-18)9-17-8-11-3-4-13(15)14(16)7-11/h3-4,7,12,17H,5-6,8-10H2,1-2H3
InChIKeyOLKHQZHHJTWBGV-UHFFFAOYSA-N
MW302.25 g/mol
LogP2.33
Rot. Bonds4

About N-[(3,4-dichlorophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine

N-[(3,4-dichlorophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine (PubChem CID 63897594) has the molecular formula C14H21Cl2N3 and a molecular weight of 302.25 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
PubChem CID63897594
Molecular FormulaC14H21Cl2N3
Molecular Weight302.25 g/mol
Exact Mass301.11
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
SMILESCN1CCN(C)C(CNCc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C14H21Cl2N3/c1-18-5-6-19(2)12(10-18)9-17-8-11-3-4-13(15)14(16)7-11/h3-4,7,12,17H,5-6,8-10H2,1-2H3
InChIKeyOLKHQZHHJTWBGV-UHFFFAOYSA-N
XLogP2.33
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chloro-3-nitrophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
CID 78954976
N-[(3,4-dibromophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
CID 115693200
N-[(4-bromophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
CID 63897217
N-(1,3-benzodioxol-5-ylmethyl)-1-(1,4-dimethylpiperazin-2-yl)methanamine
CID 63897058
N-[(4-cyclopropylphenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
CID 79984609
1-(1,4-dimethylpiperazin-2-yl)-N-[(3-fluorophenyl)methyl]methanamine
CID 63898562
1-(1,4-dimethylpiperazin-2-yl)-N-[(4-methylsulfanylphenyl)methyl]methanamine
CID 63898350
1-[(2S)-1,4-dimethylpiperazin-2-yl]-N-[[4-(2-methylpropyl)phenyl]methyl]methanamine
CID 97053955
1-(1,4-dimethylpiperazin-2-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]methanamine
CID 63896870
1-(1,4-dimethylpiperazin-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine
CID 63896516
1-(1,4-dimethylpiperazin-2-yl)-N-[(6-methoxy-3-pyridinyl)methyl]methanamine
CID 114936760
4-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]benzamide
CID 63898951

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine (CID 63897594) is N-[(3,4-dichlorophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine is CN1CCN(C)C(CNCc2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine?
The InChIKey is OLKHQZHHJTWBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2N3/c1-18-5-6-19(2)12(10-18)9-17-8-11-3-4-13(15)14(16)7-11/h3-4,7,12,17H,5-6,8-10H2,1-2H3.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine?
N-[(3,4-dichlorophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine has a molecular weight of 302.25 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine is sourced from PubChem (CID 63897594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).