1-[2-chloro-2-(4-methoxyphenyl)ethyl]-4-methylpiperazine

C14H21ClN2O — CID 82214808

IUPAC1-[2-chloro-2-(4-methoxyphenyl)ethyl]-4-methylpiperazine
SMILESCOc1ccc(C(Cl)CN2CCN(C)CC2)cc1
InChIInChI=1S/C14H21ClN2O/c1-16-7-9-17(10-8-16)11-14(15)12-3-5-13(18-2)6-4-12/h3-6,14H,7-11H2,1-2H3
InChIKeyMAZHHNYHRVSTPC-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.22
Rot. Bonds4

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

1-[2-chloro-2-(4-methoxyphenyl)ethyl]-4-methylpiperazine (PubChem CID 82214808) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 1-[2-chloro-2-(4-methoxyphenyl)ethyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[2-chloro-2-(4-methoxyphenyl)ethyl]-4-methylpiperazine
PubChem CID82214808
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name1-[2-chloro-2-(4-methoxyphenyl)ethyl]-4-methylpiperazine
SMILESCOc1ccc(C(Cl)CN2CCN(C)CC2)cc1
InChIInChI=1S/C14H21ClN2O/c1-16-7-9-17(10-8-16)11-14(15)12-3-5-13(18-2)6-4-12/h3-6,14H,7-11H2,1-2H3
InChIKeyMAZHHNYHRVSTPC-UHFFFAOYSA-N
XLogP2.22
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 30814031
N-[4-[1-chloro-2-(4-methylpiperazin-1-yl)ethyl]phenyl]acetamide
CID 82215065
1-[(1S,4R)-1,4-dichloro-4-(4-methoxyphenyl)butyl]-4-methoxybenzene
CID 125465408
(Z)-4-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)but-3-en-2-ol
CID 24842156
tert-butyl N-[(1S)-1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]carbamate
CID 95617125
(2R)-2-ethoxy-N-[(1S)-1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]propanamide
CID 95151917
1-(4-methoxyphenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanol
CID 60971064
2-(azepan-1-yl)-1-(4-methoxyphenyl)ethanol
CID 54944635
1-(1-chloro-3,3-dimethylbutyl)-4-methoxybenzene
CID 63429185
1-[2-chloro-2-(2,4-dimethoxyphenyl)ethyl]piperidine
CID 82215428
1-[2-(4-tert-butylphenyl)-2-chloroethyl]pyrrolidine
CID 82214702
(1S)-1-(4-methoxyphenyl)-N-methyl-2-pyrrolidin-1-ylethanamine
CID 139630399

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-2-(4-methoxyphenyl)ethyl]-4-methylpiperazine?
The IUPAC name of 1-[2-chloro-2-(4-methoxyphenyl)ethyl]-4-methylpiperazine (CID 82214808) is 1-[2-chloro-2-(4-methoxyphenyl)ethyl]-4-methylpiperazine.
What is the SMILES notation for 1-[2-chloro-2-(4-methoxyphenyl)ethyl]-4-methylpiperazine?
The canonical SMILES for 1-[2-chloro-2-(4-methoxyphenyl)ethyl]-4-methylpiperazine is COc1ccc(C(Cl)CN2CCN(C)CC2)cc1.
What is the InChIKey of 1-[2-chloro-2-(4-methoxyphenyl)ethyl]-4-methylpiperazine?
The InChIKey is MAZHHNYHRVSTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-16-7-9-17(10-8-16)11-14(15)12-3-5-13(18-2)6-4-12/h3-6,14H,7-11H2,1-2H3.
What are the key properties of 1-[2-chloro-2-(4-methoxyphenyl)ethyl]-4-methylpiperazine?
1-[2-chloro-2-(4-methoxyphenyl)ethyl]-4-methylpiperazine has a molecular weight of 268.79 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-2-(4-methoxyphenyl)ethyl]-4-methylpiperazine is sourced from PubChem (CID 82214808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).