2-chloro-4-[2-(diethylamino)-1-piperazin-1-ylethyl]phenol

C16H26ClN3O — CID 83979656

IUPAC2-chloro-4-[2-(diethylamino)-1-piperazin-1-ylethyl]phenol
SMILESCCN(CC)CC(c1ccc(O)c(Cl)c1)N1CCNCC1
InChIInChI=1S/C16H26ClN3O/c1-3-19(4-2)12-15(20-9-7-18-8-10-20)13-5-6-16(21)14(17)11-13/h5-6,11,15,18,21H,3-4,7-10,12H2,1-2H3
InChIKeyZAKKQPWSKMAEOK-UHFFFAOYSA-N
MW311.86 g/mol
LogP2.33
Rot. Bonds6

About 2-chloro-4-[2-(diethylamino)-1-piperazin-1-ylethyl]phenol

2-chloro-4-[2-(diethylamino)-1-piperazin-1-ylethyl]phenol (PubChem CID 83979656) has the molecular formula C16H26ClN3O and a molecular weight of 311.86 g/mol. Its IUPAC name is 2-chloro-4-[2-(diethylamino)-1-piperazin-1-ylethyl]phenol.

Molecular Properties

Compound Name2-chloro-4-[2-(diethylamino)-1-piperazin-1-ylethyl]phenol
PubChem CID83979656
Molecular FormulaC16H26ClN3O
Molecular Weight311.86 g/mol
Exact Mass311.18
IUPAC Name2-chloro-4-[2-(diethylamino)-1-piperazin-1-ylethyl]phenol
SMILESCCN(CC)CC(c1ccc(O)c(Cl)c1)N1CCNCC1
InChIInChI=1S/C16H26ClN3O/c1-3-19(4-2)12-15(20-9-7-18-8-10-20)13-5-6-16(21)14(17)11-13/h5-6,11,15,18,21H,3-4,7-10,12H2,1-2H3
InChIKeyZAKKQPWSKMAEOK-UHFFFAOYSA-N
XLogP2.33
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-[(1S)-1-piperazin-1-ylbutyl]phenol
CID 171275716
2-chloro-4-[(1S)-2-fluoro-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171288327
2-(3-chlorophenyl)-N,N-diethyl-2-piperazin-1-ylethanamine
CID 83977802
2-chloro-4-[(1S)-3,3-difluoro-1-piperazin-1-ylpropyl]phenol
CID 171178984
2-chloro-4-[(1S)-3,3-difluoro-1-piperazin-1-ylpropyl]phenol;hydrochloride
CID 171178985
(3S)-3-(3-chloro-4-hydroxyphenyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171305945
N,N-diethyl-2-piperazin-1-yl-2-pyridin-4-ylethanamine
CID 83980045
2-(3,4-dichlorophenyl)-N,N-diethyl-2-(3-methylpiperazin-1-yl)ethanamine
CID 83978693
4-[(1R)-1-piperazin-1-ylpropyl]benzene-1,2-diol;dihydrochloride
CID 171285097
1-[(1S)-1-(3-chloro-4-fluorophenyl)propyl]piperazine
CID 96664875
2-fluoro-4-[(1S)-1-piperazin-1-ylpropyl]phenol;hydrochloride
CID 171162748
1-[1-(3,4-dichlorophenyl)propyl]-1,4-diazepane
CID 3802587

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[2-(diethylamino)-1-piperazin-1-ylethyl]phenol?
The IUPAC name of 2-chloro-4-[2-(diethylamino)-1-piperazin-1-ylethyl]phenol (CID 83979656) is 2-chloro-4-[2-(diethylamino)-1-piperazin-1-ylethyl]phenol.
What is the SMILES notation for 2-chloro-4-[2-(diethylamino)-1-piperazin-1-ylethyl]phenol?
The canonical SMILES for 2-chloro-4-[2-(diethylamino)-1-piperazin-1-ylethyl]phenol is CCN(CC)CC(c1ccc(O)c(Cl)c1)N1CCNCC1.
What is the InChIKey of 2-chloro-4-[2-(diethylamino)-1-piperazin-1-ylethyl]phenol?
The InChIKey is ZAKKQPWSKMAEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3O/c1-3-19(4-2)12-15(20-9-7-18-8-10-20)13-5-6-16(21)14(17)11-13/h5-6,11,15,18,21H,3-4,7-10,12H2,1-2H3.
What are the key properties of 2-chloro-4-[2-(diethylamino)-1-piperazin-1-ylethyl]phenol?
2-chloro-4-[2-(diethylamino)-1-piperazin-1-ylethyl]phenol has a molecular weight of 311.86 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[2-(diethylamino)-1-piperazin-1-ylethyl]phenol is sourced from PubChem (CID 83979656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).