1-[4-(4-chlorophenyl)-2,6-dimethylpiperazin-1-yl]-3-[(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)oxy]propan-2-ol

C25H32ClN3O2 — CID 58329048

IUPAC1-[4-(4-chlorophenyl)-2,6-dimethylpiperazin-1-yl]-3-[(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)oxy]propan-2-ol
SMILESC=C1CCc2cc(OCC(O)CN3C(C)CN(c4ccc(Cl)cc4)CC3C)ccc2N1
InChIInChI=1S/C25H32ClN3O2/c1-17-4-5-20-12-24(10-11-25(20)27-17)31-16-23(30)15-29-18(2)13-28(14-19(29)3)22-8-6-21(26)7-9-22/h6-12,18-19,23,27,30H,1,4-5,13-16H2,2-3H3
InChIKeyUIVQEFVTALNLMP-UHFFFAOYSA-N
MW442.00 g/mol
LogP4.55
Rot. Bonds6

About 1-[4-(4-chlorophenyl)-2,6-dimethylpiperazin-1-yl]-3-[(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)oxy]propan-2-ol

1-[4-(4-chlorophenyl)-2,6-dimethylpiperazin-1-yl]-3-[(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)oxy]propan-2-ol (PubChem CID 58329048) has the molecular formula C25H32ClN3O2 and a molecular weight of 442.00 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)-2,6-dimethylpiperazin-1-yl]-3-[(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)oxy]propan-2-ol.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)-2,6-dimethylpiperazin-1-yl]-3-[(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)oxy]propan-2-ol
PubChem CID58329048
Molecular FormulaC25H32ClN3O2
Molecular Weight442.00 g/mol
Exact Mass441.22
IUPAC Name1-[4-(4-chlorophenyl)-2,6-dimethylpiperazin-1-yl]-3-[(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)oxy]propan-2-ol
SMILESC=C1CCc2cc(OCC(O)CN3C(C)CN(c4ccc(Cl)cc4)CC3C)ccc2N1
InChIInChI=1S/C25H32ClN3O2/c1-17-4-5-20-12-24(10-11-25(20)27-17)31-16-23(30)15-29-18(2)13-28(14-19(29)3)22-8-6-21(26)7-9-22/h6-12,18-19,23,27,30H,1,4-5,13-16H2,2-3H3
InChIKeyUIVQEFVTALNLMP-UHFFFAOYSA-N
XLogP4.55
TPSA47.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.00
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(2S)-3-[4-(4-chlorophenyl)-2,6-dimethylpiperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide;N-[4-[(2R)-3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide;(2S)-1-[4-(4-chlorophenyl)piperazin-1-yl]-3-[(7-methylidene-6,8-dihydro-5H-naphthalen-2-yl)oxy]propan-2-ol;N-[4-[(2R)-3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide;1-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]ethanone
CID 157300933
(2S)-1-[4-(4-chlorophenyl)piperazin-1-yl]-3-[(7-methylidene-6,8-dihydro-5H-naphthalen-2-yl)oxy]propan-2-ol
CID 58329036
(2S)-1-[(2R)-4-(4-chlorophenyl)-2-methylpiperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol
CID 58328832
1-[(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)oxy]-3-[4-(4-chlorophenyl)-2-methylpiperazin-1-yl]propan-2-ol
CID 44589186
(2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-2-ol
CID 34065973
1-(2,3-dihydro-1H-inden-5-yloxy)-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol
CID 3412059
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-[4-[3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 19133200
1-[1-(4-chlorophenyl)cyclobutyl]-2-[2-methyl-5-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]piperidin-1-yl]ethanol
CID 70657628
N-[4-[(2S)-3-[(2S)-4-(4-chlorophenyl)-2-methylpiperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
CID 58329065
1-(4-chlorophenoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol dichloride
CID 21236715
(2S)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-3-[4-[(2S)-3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 124721948
1-(4-chlorophenoxy)-4-[4-(4-chlorophenyl)piperazin-1-yl]butan-2-ol
CID 14422864

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)-2,6-dimethylpiperazin-1-yl]-3-[(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)oxy]propan-2-ol?
The IUPAC name of 1-[4-(4-chlorophenyl)-2,6-dimethylpiperazin-1-yl]-3-[(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)oxy]propan-2-ol (CID 58329048) is 1-[4-(4-chlorophenyl)-2,6-dimethylpiperazin-1-yl]-3-[(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)oxy]propan-2-ol.
What is the SMILES notation for 1-[4-(4-chlorophenyl)-2,6-dimethylpiperazin-1-yl]-3-[(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)oxy]propan-2-ol?
The canonical SMILES for 1-[4-(4-chlorophenyl)-2,6-dimethylpiperazin-1-yl]-3-[(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)oxy]propan-2-ol is C=C1CCc2cc(OCC(O)CN3C(C)CN(c4ccc(Cl)cc4)CC3C)ccc2N1.
What is the InChIKey of 1-[4-(4-chlorophenyl)-2,6-dimethylpiperazin-1-yl]-3-[(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)oxy]propan-2-ol?
The InChIKey is UIVQEFVTALNLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32ClN3O2/c1-17-4-5-20-12-24(10-11-25(20)27-17)31-16-23(30)15-29-18(2)13-28(14-19(29)3)22-8-6-21(26)7-9-22/h6-12,18-19,23,27,30H,1,4-5,13-16H2,2-3H3.
What are the key properties of 1-[4-(4-chlorophenyl)-2,6-dimethylpiperazin-1-yl]-3-[(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)oxy]propan-2-ol?
1-[4-(4-chlorophenyl)-2,6-dimethylpiperazin-1-yl]-3-[(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)oxy]propan-2-ol has a molecular weight of 442.00 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)-2,6-dimethylpiperazin-1-yl]-3-[(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)oxy]propan-2-ol is sourced from PubChem (CID 58329048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).