2-[4-[4-chloro-2-(ethylaminomethyl)phenyl]piperazin-1-yl]ethanol

C15H24ClN3O — CID 114848529

IUPAC2-[4-[4-chloro-2-(ethylaminomethyl)phenyl]piperazin-1-yl]ethanol
SMILESCCNCc1cc(Cl)ccc1N1CCN(CCO)CC1
InChIInChI=1S/C15H24ClN3O/c1-2-17-12-13-11-14(16)3-4-15(13)19-7-5-18(6-8-19)9-10-20/h3-4,11,17,20H,2,5-10,12H2,1H3
InChIKeyALQPZJZPZGWOQO-UHFFFAOYSA-N
MW297.83 g/mol
LogP1.56
Rot. Bonds6

About 2-[4-[4-chloro-2-(ethylaminomethyl)phenyl]piperazin-1-yl]ethanol

2-[4-[4-chloro-2-(ethylaminomethyl)phenyl]piperazin-1-yl]ethanol (PubChem CID 114848529) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 2-[4-[4-chloro-2-(ethylaminomethyl)phenyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[4-chloro-2-(ethylaminomethyl)phenyl]piperazin-1-yl]ethanol
PubChem CID114848529
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name2-[4-[4-chloro-2-(ethylaminomethyl)phenyl]piperazin-1-yl]ethanol
SMILESCCNCc1cc(Cl)ccc1N1CCN(CCO)CC1
InChIInChI=1S/C15H24ClN3O/c1-2-17-12-13-11-14(16)3-4-15(13)19-7-5-18(6-8-19)9-10-20/h3-4,11,17,20H,2,5-10,12H2,1H3
InChIKeyALQPZJZPZGWOQO-UHFFFAOYSA-N
XLogP1.56
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[5-chloro-2-(ethylaminomethyl)phenyl]piperazin-1-yl]ethanol
CID 114848526
N-[[5-chloro-2-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methyl]ethanamine
CID 114849185
N-[[5-chloro-2-(4,4-diethylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 114851025
N-[[4-chloro-2-(4-ethylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 114847648
N-[[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]methyl]propan-1-amine
CID 114847273
2-[4-[5-chloro-2-(methylaminomethyl)phenyl]-1,4-diazepan-1-yl]ethanol
CID 107223737
2-[4-[4-(ethylaminomethyl)-3-methylphenyl]piperazin-1-yl]ethanol
CID 62135193
N-[(5-chloro-2-piperidin-1-ylphenyl)methyl]propan-1-amine
CID 114847580
N-[[5-chloro-2-(3-propylpyrrolidin-1-yl)phenyl]methyl]ethanamine
CID 114853511
1-[1-[4-chloro-2-(ethylaminomethyl)phenyl]pyrrolidin-3-yl]ethanol
CID 114853256
N-[[5-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methyl]ethanamine
CID 114851073
N-[[4-chloro-2-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 114849168

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-chloro-2-(ethylaminomethyl)phenyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[4-chloro-2-(ethylaminomethyl)phenyl]piperazin-1-yl]ethanol (CID 114848529) is 2-[4-[4-chloro-2-(ethylaminomethyl)phenyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[4-chloro-2-(ethylaminomethyl)phenyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[4-chloro-2-(ethylaminomethyl)phenyl]piperazin-1-yl]ethanol is CCNCc1cc(Cl)ccc1N1CCN(CCO)CC1.
What is the InChIKey of 2-[4-[4-chloro-2-(ethylaminomethyl)phenyl]piperazin-1-yl]ethanol?
The InChIKey is ALQPZJZPZGWOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-2-17-12-13-11-14(16)3-4-15(13)19-7-5-18(6-8-19)9-10-20/h3-4,11,17,20H,2,5-10,12H2,1H3.
What are the key properties of 2-[4-[4-chloro-2-(ethylaminomethyl)phenyl]piperazin-1-yl]ethanol?
2-[4-[4-chloro-2-(ethylaminomethyl)phenyl]piperazin-1-yl]ethanol has a molecular weight of 297.83 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-chloro-2-(ethylaminomethyl)phenyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 114848529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).