1-[(3-chloro-4-methoxyphenyl)methyl]-2-methylpiperazine

C13H19ClN2O — CID 82299031

IUPAC1-[(3-chloro-4-methoxyphenyl)methyl]-2-methylpiperazine
SMILESCOc1ccc(CN2CCNCC2C)cc1Cl
InChIInChI=1S/C13H19ClN2O/c1-10-8-15-5-6-16(10)9-11-3-4-13(17-2)12(14)7-11/h3-4,7,10,15H,5-6,8-9H2,1-2H3
InChIKeyNFRSDROKPCQOJB-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.14
Rot. Bonds3

About 1-[(3-chloro-4-methoxyphenyl)methyl]-2-methylpiperazine

1-[(3-chloro-4-methoxyphenyl)methyl]-2-methylpiperazine (PubChem CID 82299031) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 1-[(3-chloro-4-methoxyphenyl)methyl]-2-methylpiperazine.

Molecular Properties

Compound Name1-[(3-chloro-4-methoxyphenyl)methyl]-2-methylpiperazine
PubChem CID82299031
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name1-[(3-chloro-4-methoxyphenyl)methyl]-2-methylpiperazine
SMILESCOc1ccc(CN2CCNCC2C)cc1Cl
InChIInChI=1S/C13H19ClN2O/c1-10-8-15-5-6-16(10)9-11-3-4-13(17-2)12(14)7-11/h3-4,7,10,15H,5-6,8-9H2,1-2H3
InChIKeyNFRSDROKPCQOJB-UHFFFAOYSA-N
XLogP2.14
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]-2-methylpiperazine
CID 95212131
(2S)-1-[(3-chloro-4-methylphenyl)methyl]-2-methylpiperazine;hydrochloride
CID 120839112
2-[1-[(3-chloro-4-methoxyphenyl)methyl]piperazin-2-yl]acetamide
CID 69347794
(2S)-1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylpiperazine
CID 82755517
(2R)-1-[(4-methoxy-3-prop-2-enylphenyl)methyl]-2-methylpiperazine
CID 126435859
(2R)-1-[(4-chloro-3-fluorophenyl)methyl]-2-methylpiperazine
CID 95656909
1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-1,4-diazepane
CID 82303795
(2S)-1-[(4-methoxy-3-nitrophenyl)methyl]-2-methylpiperazine
CID 82714108
1-[(4-iodophenyl)methyl]-2-methylpiperazine;hydrochloride
CID 119916408
(2S)-1-[(2-chloro-4-pyridinyl)methyl]-2-methylpiperazine
CID 82705581
1-[(3-chloro-4-methoxyphenyl)methyl]-3-methylpiperazine
CID 65419171
1-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylpiperazine;hydrochloride
CID 119916469

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-4-methoxyphenyl)methyl]-2-methylpiperazine?
The IUPAC name of 1-[(3-chloro-4-methoxyphenyl)methyl]-2-methylpiperazine (CID 82299031) is 1-[(3-chloro-4-methoxyphenyl)methyl]-2-methylpiperazine.
What is the SMILES notation for 1-[(3-chloro-4-methoxyphenyl)methyl]-2-methylpiperazine?
The canonical SMILES for 1-[(3-chloro-4-methoxyphenyl)methyl]-2-methylpiperazine is COc1ccc(CN2CCNCC2C)cc1Cl.
What is the InChIKey of 1-[(3-chloro-4-methoxyphenyl)methyl]-2-methylpiperazine?
The InChIKey is NFRSDROKPCQOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-10-8-15-5-6-16(10)9-11-3-4-13(17-2)12(14)7-11/h3-4,7,10,15H,5-6,8-9H2,1-2H3.
What are the key properties of 1-[(3-chloro-4-methoxyphenyl)methyl]-2-methylpiperazine?
1-[(3-chloro-4-methoxyphenyl)methyl]-2-methylpiperazine has a molecular weight of 254.76 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-4-methoxyphenyl)methyl]-2-methylpiperazine is sourced from PubChem (CID 82299031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).