2-(4-chlorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine

C14H22ClN3 — CID 63605366

IUPAC2-(4-chlorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine
SMILESCC1CN(C(CN)c2ccc(Cl)cc2)CCN1C
InChIInChI=1S/C14H22ClN3/c1-11-10-18(8-7-17(11)2)14(9-16)12-3-5-13(15)6-4-12/h3-6,11,14H,7-10,16H2,1-2H3
InChIKeyIBLBBCVPTCMKTA-UHFFFAOYSA-N
MW267.80 g/mol
LogP1.98
Rot. Bonds3

About 2-(4-chlorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine

2-(4-chlorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine (PubChem CID 63605366) has the molecular formula C14H22ClN3 and a molecular weight of 267.80 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine
PubChem CID63605366
Molecular FormulaC14H22ClN3
Molecular Weight267.80 g/mol
Exact Mass267.15
IUPAC Name2-(4-chlorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine
SMILESCC1CN(C(CN)c2ccc(Cl)cc2)CCN1C
InChIInChI=1S/C14H22ClN3/c1-11-10-18(8-7-17(11)2)14(9-16)12-3-5-13(15)6-4-12/h3-6,11,14H,7-10,16H2,1-2H3
InChIKeyIBLBBCVPTCMKTA-UHFFFAOYSA-N
XLogP1.98
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dichlorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine
CID 63605245
2-(4-chlorophenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
CID 114537191
2-(4-chloro-3-fluorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine
CID 63605224
2-(3,4-dimethylpiperazin-1-yl)-2-(4-methylsulfanylphenyl)ethanamine
CID 63605581
2-(3-chloro-5-fluorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine
CID 114453410
2-(3,4-dimethylpiperazin-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 65096479
[1-[2-amino-1-(4-chlorophenyl)ethyl]piperidin-3-yl]methanol
CID 55014997
2-(3,4-dimethylpiperazin-1-yl)-2-(3-ethoxyphenyl)ethanamine
CID 63605407
2-(4-chlorophenyl)-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine
CID 63171544
(3S)-1-[(1S)-2-amino-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 51698188
2-(4-chlorophenyl)-2-pyrrolidin-1-ylethanamine;oxalic acid
CID 45075211
2-(3-chlorophenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine
CID 63603993

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine?
The IUPAC name of 2-(4-chlorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine (CID 63605366) is 2-(4-chlorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine?
The canonical SMILES for 2-(4-chlorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine is CC1CN(C(CN)c2ccc(Cl)cc2)CCN1C.
What is the InChIKey of 2-(4-chlorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine?
The InChIKey is IBLBBCVPTCMKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3/c1-11-10-18(8-7-17(11)2)14(9-16)12-3-5-13(15)6-4-12/h3-6,11,14H,7-10,16H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine?
2-(4-chlorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine has a molecular weight of 267.80 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 63605366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).