1-(3-chloro-5-ethyl-2-methoxyphenyl)-4-methylpiperazine

C14H21ClN2O — CID 155552695

IUPAC1-(3-chloro-5-ethyl-2-methoxyphenyl)-4-methylpiperazine
SMILESCCc1cc(Cl)c(OC)c(N2CCN(C)CC2)c1
InChIInChI=1S/C14H21ClN2O/c1-4-11-9-12(15)14(18-3)13(10-11)17-7-5-16(2)6-8-17/h9-10H,4-8H2,1-3H3
InChIKeyHNMDMLNEALPPKX-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.66
Rot. Bonds3

About 1-(3-chloro-5-ethyl-2-methoxyphenyl)-4-methylpiperazine

1-(3-chloro-5-ethyl-2-methoxyphenyl)-4-methylpiperazine (PubChem CID 155552695) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 1-(3-chloro-5-ethyl-2-methoxyphenyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(3-chloro-5-ethyl-2-methoxyphenyl)-4-methylpiperazine
PubChem CID155552695
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name1-(3-chloro-5-ethyl-2-methoxyphenyl)-4-methylpiperazine
SMILESCCc1cc(Cl)c(OC)c(N2CCN(C)CC2)c1
InChIInChI=1S/C14H21ClN2O/c1-4-11-9-12(15)14(18-3)13(10-11)17-7-5-16(2)6-8-17/h9-10H,4-8H2,1-3H3
InChIKeyHNMDMLNEALPPKX-UHFFFAOYSA-N
XLogP2.66
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-ethyl-2-methoxyphenyl)-4-methylpiperazine?
The IUPAC name of 1-(3-chloro-5-ethyl-2-methoxyphenyl)-4-methylpiperazine (CID 155552695) is 1-(3-chloro-5-ethyl-2-methoxyphenyl)-4-methylpiperazine.
What is the SMILES notation for 1-(3-chloro-5-ethyl-2-methoxyphenyl)-4-methylpiperazine?
The canonical SMILES for 1-(3-chloro-5-ethyl-2-methoxyphenyl)-4-methylpiperazine is CCc1cc(Cl)c(OC)c(N2CCN(C)CC2)c1.
What is the InChIKey of 1-(3-chloro-5-ethyl-2-methoxyphenyl)-4-methylpiperazine?
The InChIKey is HNMDMLNEALPPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-4-11-9-12(15)14(18-3)13(10-11)17-7-5-16(2)6-8-17/h9-10H,4-8H2,1-3H3.
What are the key properties of 1-(3-chloro-5-ethyl-2-methoxyphenyl)-4-methylpiperazine?
1-(3-chloro-5-ethyl-2-methoxyphenyl)-4-methylpiperazine has a molecular weight of 268.79 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-ethyl-2-methoxyphenyl)-4-methylpiperazine is sourced from PubChem (CID 155552695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).