2-chloro-4-[1-(3-methylpiperazin-1-yl)-2-pyrrolidin-1-ylethyl]phenol

C17H26ClN3O — CID 83979668

IUPAC2-chloro-4-[1-(3-methylpiperazin-1-yl)-2-pyrrolidin-1-ylethyl]phenol
SMILESCC1CN(C(CN2CCCC2)c2ccc(O)c(Cl)c2)CCN1
InChIInChI=1S/C17H26ClN3O/c1-13-11-21(9-6-19-13)16(12-20-7-2-3-8-20)14-4-5-17(22)15(18)10-14/h4-5,10,13,16,19,22H,2-3,6-9,11-12H2,1H3
InChIKeyGGPAFTFJEYMOFW-UHFFFAOYSA-N
MW323.87 g/mol
LogP2.48
Rot. Bonds4

About 2-chloro-4-[1-(3-methylpiperazin-1-yl)-2-pyrrolidin-1-ylethyl]phenol

2-chloro-4-[1-(3-methylpiperazin-1-yl)-2-pyrrolidin-1-ylethyl]phenol (PubChem CID 83979668) has the molecular formula C17H26ClN3O and a molecular weight of 323.87 g/mol. Its IUPAC name is 2-chloro-4-[1-(3-methylpiperazin-1-yl)-2-pyrrolidin-1-ylethyl]phenol.

Molecular Properties

Compound Name2-chloro-4-[1-(3-methylpiperazin-1-yl)-2-pyrrolidin-1-ylethyl]phenol
PubChem CID83979668
Molecular FormulaC17H26ClN3O
Molecular Weight323.87 g/mol
Exact Mass323.18
IUPAC Name2-chloro-4-[1-(3-methylpiperazin-1-yl)-2-pyrrolidin-1-ylethyl]phenol
SMILESCC1CN(C(CN2CCCC2)c2ccc(O)c(Cl)c2)CCN1
InChIInChI=1S/C17H26ClN3O/c1-13-11-21(9-6-19-13)16(12-20-7-2-3-8-20)14-4-5-17(22)15(18)10-14/h4-5,10,13,16,19,22H,2-3,6-9,11-12H2,1H3
InChIKeyGGPAFTFJEYMOFW-UHFFFAOYSA-N
XLogP2.48
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.87
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-hydroxy-3-methoxyphenyl)-2-(3-methylpiperazin-1-yl)ethyl]piperidin-4-ol
CID 112539976
1-[1-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]-3-methylpiperazine
CID 83977826
4-[2-(3-chlorophenyl)-2-(3-methylpiperazin-1-yl)ethyl]morpholine
CID 83977807
1-[2-(4-fluorophenyl)-2-(3-methylpiperazin-1-yl)ethyl]piperidin-4-ol
CID 83978195
1-[1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-methylpiperazine
CID 83978178
2-(3,4-dichlorophenyl)-N,N-diethyl-2-(3-methylpiperazin-1-yl)ethanamine
CID 83978693
2-chloro-4-[(1S)-1-piperazin-1-ylbutyl]phenol
CID 171275716
4-[2-(3,4-dimethoxyphenyl)-2-(3-methylpiperazin-1-yl)ethyl]morpholine
CID 112539497
1-[1-(4-ethylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-methylpiperazine
CID 83978531
1-[1-(4-chlorophenyl)propyl]-3-methylpiperazine
CID 65418511
2-chloro-4-[(1S)-2-fluoro-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171288327
2-chloro-4-[(1S)-3,3-difluoro-1-piperazin-1-ylpropyl]phenol
CID 171178984

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[1-(3-methylpiperazin-1-yl)-2-pyrrolidin-1-ylethyl]phenol?
The IUPAC name of 2-chloro-4-[1-(3-methylpiperazin-1-yl)-2-pyrrolidin-1-ylethyl]phenol (CID 83979668) is 2-chloro-4-[1-(3-methylpiperazin-1-yl)-2-pyrrolidin-1-ylethyl]phenol.
What is the SMILES notation for 2-chloro-4-[1-(3-methylpiperazin-1-yl)-2-pyrrolidin-1-ylethyl]phenol?
The canonical SMILES for 2-chloro-4-[1-(3-methylpiperazin-1-yl)-2-pyrrolidin-1-ylethyl]phenol is CC1CN(C(CN2CCCC2)c2ccc(O)c(Cl)c2)CCN1.
What is the InChIKey of 2-chloro-4-[1-(3-methylpiperazin-1-yl)-2-pyrrolidin-1-ylethyl]phenol?
The InChIKey is GGPAFTFJEYMOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O/c1-13-11-21(9-6-19-13)16(12-20-7-2-3-8-20)14-4-5-17(22)15(18)10-14/h4-5,10,13,16,19,22H,2-3,6-9,11-12H2,1H3.
What are the key properties of 2-chloro-4-[1-(3-methylpiperazin-1-yl)-2-pyrrolidin-1-ylethyl]phenol?
2-chloro-4-[1-(3-methylpiperazin-1-yl)-2-pyrrolidin-1-ylethyl]phenol has a molecular weight of 323.87 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[1-(3-methylpiperazin-1-yl)-2-pyrrolidin-1-ylethyl]phenol is sourced from PubChem (CID 83979668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).