4-(4-chlorocyclohexa-2,4-dien-1-yl)-1-[6-methyl-4-(methylamino)cyclohexa-1,3-dien-1-yl]piperidin-4-ol

C19H27ClN2O — CID 70974480

IUPAC4-(4-chlorocyclohexa-2,4-dien-1-yl)-1-[6-methyl-4-(methylamino)cyclohexa-1,3-dien-1-yl]piperidin-4-ol
SMILESCNC1=CC=C(N2CCC(O)(C3C=CC(Cl)=CC3)CC2)C(C)C1
InChIInChI=1S/C19H27ClN2O/c1-14-13-17(21-2)7-8-18(14)22-11-9-19(23,10-12-22)15-3-5-16(20)6-4-15/h3,5-8,14-15,21,23H,4,9-13H2,1-2H3
InChIKeyOSYMTFVLXFJOBY-UHFFFAOYSA-N
MW334.89 g/mol
LogP3.54
Rot. Bonds3

About 4-(4-chlorocyclohexa-2,4-dien-1-yl)-1-[6-methyl-4-(methylamino)cyclohexa-1,3-dien-1-yl]piperidin-4-ol

4-(4-chlorocyclohexa-2,4-dien-1-yl)-1-[6-methyl-4-(methylamino)cyclohexa-1,3-dien-1-yl]piperidin-4-ol (PubChem CID 70974480) has the molecular formula C19H27ClN2O and a molecular weight of 334.89 g/mol. Its IUPAC name is 4-(4-chlorocyclohexa-2,4-dien-1-yl)-1-[6-methyl-4-(methylamino)cyclohexa-1,3-dien-1-yl]piperidin-4-ol.

Molecular Properties

Compound Name4-(4-chlorocyclohexa-2,4-dien-1-yl)-1-[6-methyl-4-(methylamino)cyclohexa-1,3-dien-1-yl]piperidin-4-ol
PubChem CID70974480
Molecular FormulaC19H27ClN2O
Molecular Weight334.89 g/mol
Exact Mass334.18
IUPAC Name4-(4-chlorocyclohexa-2,4-dien-1-yl)-1-[6-methyl-4-(methylamino)cyclohexa-1,3-dien-1-yl]piperidin-4-ol
SMILESCNC1=CC=C(N2CCC(O)(C3C=CC(Cl)=CC3)CC2)C(C)C1
InChIInChI=1S/C19H27ClN2O/c1-14-13-17(21-2)7-8-18(14)22-11-9-19(23,10-12-22)15-3-5-16(20)6-4-15/h3,5-8,14-15,21,23H,4,9-13H2,1-2H3
InChIKeyOSYMTFVLXFJOBY-UHFFFAOYSA-N
XLogP3.54
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.89
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorocyclohexa-2,4-dien-1-yl)-1-[6-methyl-4-(methylamino)cyclohexa-1,3-dien-1-yl]piperidin-4-ol?
The IUPAC name of 4-(4-chlorocyclohexa-2,4-dien-1-yl)-1-[6-methyl-4-(methylamino)cyclohexa-1,3-dien-1-yl]piperidin-4-ol (CID 70974480) is 4-(4-chlorocyclohexa-2,4-dien-1-yl)-1-[6-methyl-4-(methylamino)cyclohexa-1,3-dien-1-yl]piperidin-4-ol.
What is the SMILES notation for 4-(4-chlorocyclohexa-2,4-dien-1-yl)-1-[6-methyl-4-(methylamino)cyclohexa-1,3-dien-1-yl]piperidin-4-ol?
The canonical SMILES for 4-(4-chlorocyclohexa-2,4-dien-1-yl)-1-[6-methyl-4-(methylamino)cyclohexa-1,3-dien-1-yl]piperidin-4-ol is CNC1=CC=C(N2CCC(O)(C3C=CC(Cl)=CC3)CC2)C(C)C1.
What is the InChIKey of 4-(4-chlorocyclohexa-2,4-dien-1-yl)-1-[6-methyl-4-(methylamino)cyclohexa-1,3-dien-1-yl]piperidin-4-ol?
The InChIKey is OSYMTFVLXFJOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O/c1-14-13-17(21-2)7-8-18(14)22-11-9-19(23,10-12-22)15-3-5-16(20)6-4-15/h3,5-8,14-15,21,23H,4,9-13H2,1-2H3.
What are the key properties of 4-(4-chlorocyclohexa-2,4-dien-1-yl)-1-[6-methyl-4-(methylamino)cyclohexa-1,3-dien-1-yl]piperidin-4-ol?
4-(4-chlorocyclohexa-2,4-dien-1-yl)-1-[6-methyl-4-(methylamino)cyclohexa-1,3-dien-1-yl]piperidin-4-ol has a molecular weight of 334.89 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorocyclohexa-2,4-dien-1-yl)-1-[6-methyl-4-(methylamino)cyclohexa-1,3-dien-1-yl]piperidin-4-ol is sourced from PubChem (CID 70974480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).