1-[3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-1-(4-methoxyphenyl)propyl]cyclohexan-1-ol

C27H37ClN2O2 — CID 21241519

IUPAC1-[3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-1-(4-methoxyphenyl)propyl]cyclohexan-1-ol
SMILESCOc1ccc(C(CCN2CCN(Cc3cccc(Cl)c3)CC2)C2(O)CCCCC2)cc1
InChIInChI=1S/C27H37ClN2O2/c1-32-25-10-8-23(9-11-25)26(27(31)13-3-2-4-14-27)12-15-29-16-18-30(19-17-29)21-22-6-5-7-24(28)20-22/h5-11,20,26,31H,2-4,12-19,21H2,1H3
InChIKeyFVXGBCQVBDGTDG-UHFFFAOYSA-N
MW457.06 g/mol
LogP5.34
Rot. Bonds8

About 1-[3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-1-(4-methoxyphenyl)propyl]cyclohexan-1-ol

1-[3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-1-(4-methoxyphenyl)propyl]cyclohexan-1-ol (PubChem CID 21241519) has the molecular formula C27H37ClN2O2 and a molecular weight of 457.06 g/mol. Its IUPAC name is 1-[3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-1-(4-methoxyphenyl)propyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-1-(4-methoxyphenyl)propyl]cyclohexan-1-ol
PubChem CID21241519
Molecular FormulaC27H37ClN2O2
Molecular Weight457.06 g/mol
Exact Mass456.25
IUPAC Name1-[3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-1-(4-methoxyphenyl)propyl]cyclohexan-1-ol
SMILESCOc1ccc(C(CCN2CCN(Cc3cccc(Cl)c3)CC2)C2(O)CCCCC2)cc1
InChIInChI=1S/C27H37ClN2O2/c1-32-25-10-8-23(9-11-25)26(27(31)13-3-2-4-14-27)12-15-29-16-18-30(19-17-29)21-22-6-5-7-24(28)20-22/h5-11,20,26,31H,2-4,12-19,21H2,1H3
InChIKeyFVXGBCQVBDGTDG-UHFFFAOYSA-N
XLogP5.34
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.06
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-1-(4-methoxyphenyl)propyl]cyclohexan-1-ol with MolForge

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Related Compounds

1-[4-(4-benzylpiperazin-1-yl)-1-(4-methoxyphenyl)butyl]cyclohexan-1-ol
CID 21241505
1-[1-(3-chlorophenyl)-2-[4-[(6-methoxynaphthalen-2-yl)methyl]piperazin-1-yl]ethyl]cyclohexan-1-ol
CID 11330508
1-[1-(4-methoxyphenyl)-4-piperazin-1-ylbutyl]cyclohexan-1-ol
CID 21241517
1-benzyl-4-[(3R)-3-(3-chlorophenyl)-3-(4-methoxyphenoxy)propyl]piperazine
CID 92998656
1-[(Z)-3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-1-(3-methoxyphenyl)prop-1-enyl]cyclohexan-1-ol
CID 70419015
1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropyl]cyclohexan-1-ol
CID 151295162
[3-(1-hydroxycyclohexyl)-3-(4-methoxyphenyl)propyl]-methylazanium chloride
CID 162517103
(2S)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 9258253
1-[1-(3-chlorophenyl)-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]cyclohexan-1-ol;dihydrochloride
CID 11443154
1-[(3-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 2873492
(1-aminocyclopentyl)-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 119832653
3-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-methoxy-2H-indazole
CID 56898962

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-1-(4-methoxyphenyl)propyl]cyclohexan-1-ol?
The IUPAC name of 1-[3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-1-(4-methoxyphenyl)propyl]cyclohexan-1-ol (CID 21241519) is 1-[3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-1-(4-methoxyphenyl)propyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-1-(4-methoxyphenyl)propyl]cyclohexan-1-ol?
The canonical SMILES for 1-[3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-1-(4-methoxyphenyl)propyl]cyclohexan-1-ol is COc1ccc(C(CCN2CCN(Cc3cccc(Cl)c3)CC2)C2(O)CCCCC2)cc1.
What is the InChIKey of 1-[3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-1-(4-methoxyphenyl)propyl]cyclohexan-1-ol?
The InChIKey is FVXGBCQVBDGTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37ClN2O2/c1-32-25-10-8-23(9-11-25)26(27(31)13-3-2-4-14-27)12-15-29-16-18-30(19-17-29)21-22-6-5-7-24(28)20-22/h5-11,20,26,31H,2-4,12-19,21H2,1H3.
What are the key properties of 1-[3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-1-(4-methoxyphenyl)propyl]cyclohexan-1-ol?
1-[3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-1-(4-methoxyphenyl)propyl]cyclohexan-1-ol has a molecular weight of 457.06 g/mol, XLogP of 5.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-1-(4-methoxyphenyl)propyl]cyclohexan-1-ol is sourced from PubChem (CID 21241519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).