4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]cyclohexa-1,5-dien-1-ol

C16H27NO2 — CID 70995874

IUPAC4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]cyclohexa-1,5-dien-1-ol
SMILESCN(C)CC(C1C=CC(O)=CC1)C1(O)CCCCC1
InChIInChI=1S/C16H27NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6,8-9,13,15,18-19H,3-5,7,10-12H2,1-2H3
InChIKeySKQSTFRJQCGBTN-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.88
Rot. Bonds4

About 4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]cyclohexa-1,5-dien-1-ol

4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]cyclohexa-1,5-dien-1-ol (PubChem CID 70995874) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]cyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]cyclohexa-1,5-dien-1-ol
PubChem CID70995874
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]cyclohexa-1,5-dien-1-ol
SMILESCN(C)CC(C1C=CC(O)=CC1)C1(O)CCCCC1
InChIInChI=1S/C16H27NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6,8-9,13,15,18-19H,3-5,7,10-12H2,1-2H3
InChIKeySKQSTFRJQCGBTN-UHFFFAOYSA-N
XLogP2.88
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]cyclohexa-1,5-dien-1-ol?
The IUPAC name of 4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]cyclohexa-1,5-dien-1-ol (CID 70995874) is 4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]cyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]cyclohexa-1,5-dien-1-ol?
The canonical SMILES for 4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]cyclohexa-1,5-dien-1-ol is CN(C)CC(C1C=CC(O)=CC1)C1(O)CCCCC1.
What is the InChIKey of 4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]cyclohexa-1,5-dien-1-ol?
The InChIKey is SKQSTFRJQCGBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6,8-9,13,15,18-19H,3-5,7,10-12H2,1-2H3.
What are the key properties of 4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]cyclohexa-1,5-dien-1-ol?
4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]cyclohexa-1,5-dien-1-ol has a molecular weight of 265.40 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]cyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 70995874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).