1-[(2,3-dichlorophenyl)methyl]-2-propylpiperazine

C14H20Cl2N2 — CID 107310434

IUPAC1-[(2,3-dichlorophenyl)methyl]-2-propylpiperazine
SMILESCCCC1CNCCN1Cc1cccc(Cl)c1Cl
InChIInChI=1S/C14H20Cl2N2/c1-2-4-12-9-17-7-8-18(12)10-11-5-3-6-13(15)14(11)16/h3,5-6,12,17H,2,4,7-10H2,1H3
InChIKeyHPSXEPRBGPGDOX-UHFFFAOYSA-N
MW287.23 g/mol
LogP3.57
Rot. Bonds4

About 1-[(2,3-dichlorophenyl)methyl]-2-propylpiperazine

1-[(2,3-dichlorophenyl)methyl]-2-propylpiperazine (PubChem CID 107310434) has the molecular formula C14H20Cl2N2 and a molecular weight of 287.23 g/mol. Its IUPAC name is 1-[(2,3-dichlorophenyl)methyl]-2-propylpiperazine.

Molecular Properties

Compound Name1-[(2,3-dichlorophenyl)methyl]-2-propylpiperazine
PubChem CID107310434
Molecular FormulaC14H20Cl2N2
Molecular Weight287.23 g/mol
Exact Mass286.10
IUPAC Name1-[(2,3-dichlorophenyl)methyl]-2-propylpiperazine
SMILESCCCC1CNCCN1Cc1cccc(Cl)c1Cl
InChIInChI=1S/C14H20Cl2N2/c1-2-4-12-9-17-7-8-18(12)10-11-5-3-6-13(15)14(11)16/h3,5-6,12,17H,2,4,7-10H2,1H3
InChIKeyHPSXEPRBGPGDOX-UHFFFAOYSA-N
XLogP3.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(naphthalen-1-ylmethyl)-2-propylpiperazine
CID 64832736
1-[(5-chloro-2-methoxyphenyl)methyl]-2-propylpiperazine
CID 64831564
2-propyl-1-(pyridin-4-ylmethyl)piperazine
CID 64832934
1-[(2,3-dichlorophenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910755
2-methyl-4-[(2-propylpiperazin-1-yl)methyl]quinoline
CID 79232786
methyl 3-[(2-propylpiperazin-1-yl)methyl]benzoate
CID 75088533
(2S)-1-[(3-chloro-2-fluorophenyl)methyl]-2-methylpiperazine
CID 95212246
2-propyl-1-[(2,4,6-trimethylphenyl)methyl]piperazine
CID 64832933
2-[(2S)-1-[(2-chloro-6-fluorophenyl)methyl]piperazin-2-yl]ethanol
CID 7380586
1-[(3-bromothiophen-2-yl)methyl]-2-propylpiperazine
CID 64832145
2-[(2S)-1-[(2-methoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 95169826
1-[(2,3-dichlorophenyl)methyl]-2-methylpyrrolidine
CID 141023901

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dichlorophenyl)methyl]-2-propylpiperazine?
The IUPAC name of 1-[(2,3-dichlorophenyl)methyl]-2-propylpiperazine (CID 107310434) is 1-[(2,3-dichlorophenyl)methyl]-2-propylpiperazine.
What is the SMILES notation for 1-[(2,3-dichlorophenyl)methyl]-2-propylpiperazine?
The canonical SMILES for 1-[(2,3-dichlorophenyl)methyl]-2-propylpiperazine is CCCC1CNCCN1Cc1cccc(Cl)c1Cl.
What is the InChIKey of 1-[(2,3-dichlorophenyl)methyl]-2-propylpiperazine?
The InChIKey is HPSXEPRBGPGDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2/c1-2-4-12-9-17-7-8-18(12)10-11-5-3-6-13(15)14(11)16/h3,5-6,12,17H,2,4,7-10H2,1H3.
What are the key properties of 1-[(2,3-dichlorophenyl)methyl]-2-propylpiperazine?
1-[(2,3-dichlorophenyl)methyl]-2-propylpiperazine has a molecular weight of 287.23 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dichlorophenyl)methyl]-2-propylpiperazine is sourced from PubChem (CID 107310434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).