2-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpiperazine

C14H21ClN2O — CID 82305373

IUPAC2-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpiperazine
SMILESCC(C)Oc1ccc(C2CNCCN2C)cc1Cl
InChIInChI=1S/C14H21ClN2O/c1-10(2)18-14-5-4-11(8-12(14)15)13-9-16-6-7-17(13)3/h4-5,8,10,13,16H,6-7,9H2,1-3H3
InChIKeyJXBJEHIMZSKRQN-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.70
Rot. Bonds3

About 2-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpiperazine

2-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpiperazine (PubChem CID 82305373) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 2-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpiperazine.

Molecular Properties

Compound Name2-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpiperazine
PubChem CID82305373
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name2-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpiperazine
SMILESCC(C)Oc1ccc(C2CNCCN2C)cc1Cl
InChIInChI=1S/C14H21ClN2O/c1-10(2)18-14-5-4-11(8-12(14)15)13-9-16-6-7-17(13)3/h4-5,8,10,13,16H,6-7,9H2,1-3H3
InChIKeyJXBJEHIMZSKRQN-UHFFFAOYSA-N
XLogP2.70
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-(1-methylpiperazin-2-yl)phenol
CID 82679784
7-(3-chloro-4-methoxyphenyl)-1-methyl-1,4-diazepane
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1-methyl-2-(4-propan-2-ylphenyl)piperazine
CID 82021257
2-(3,4-dimethoxyphenyl)-1-methyl-1,4-diazepane
CID 82623166
2-(1,3-benzodioxol-5-yl)-1-methylpiperazine
CID 70977935
3-(1-methylpiperazin-2-yl)phenol
CID 55262595
2-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylpiperazine
CID 83325529
6-(1-methylpiperazin-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 82294809
2-(3-chloro-4-propan-2-yloxyphenyl)-5-methylmorpholine
CID 82305769
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpiperazine
CID 82086895
(2R)-1-methyl-2-pyridin-4-ylpiperazine
CID 28804916
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CID 116989147

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpiperazine?
The IUPAC name of 2-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpiperazine (CID 82305373) is 2-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpiperazine.
What is the SMILES notation for 2-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpiperazine?
The canonical SMILES for 2-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpiperazine is CC(C)Oc1ccc(C2CNCCN2C)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpiperazine?
The InChIKey is JXBJEHIMZSKRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-10(2)18-14-5-4-11(8-12(14)15)13-9-16-6-7-17(13)3/h4-5,8,10,13,16H,6-7,9H2,1-3H3.
What are the key properties of 2-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpiperazine?
2-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpiperazine has a molecular weight of 268.79 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpiperazine is sourced from PubChem (CID 82305373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).