3-[1-[3-(3-hydroxycyclohexyl)propyl]-3,4-dimethylpiperidin-4-yl]phenol

C22H35NO2 — CID 70411129

IUPAC3-[1-[3-(3-hydroxycyclohexyl)propyl]-3,4-dimethylpiperidin-4-yl]phenol
SMILESCC1CN(CCCC2CCCC(O)C2)CCC1(C)c1cccc(O)c1
InChIInChI=1S/C22H35NO2/c1-17-16-23(12-5-7-18-6-3-9-20(24)14-18)13-11-22(17,2)19-8-4-10-21(25)15-19/h4,8,10,15,17-18,20,24-25H,3,5-7,9,11-14,16H2,1-2H3
InChIKeyRAXDFDTYONHZGI-UHFFFAOYSA-N
MW345.53 g/mol
LogP4.32
Rot. Bonds5

About 3-[1-[3-(3-hydroxycyclohexyl)propyl]-3,4-dimethylpiperidin-4-yl]phenol

3-[1-[3-(3-hydroxycyclohexyl)propyl]-3,4-dimethylpiperidin-4-yl]phenol (PubChem CID 70411129) has the molecular formula C22H35NO2 and a molecular weight of 345.53 g/mol. Its IUPAC name is 3-[1-[3-(3-hydroxycyclohexyl)propyl]-3,4-dimethylpiperidin-4-yl]phenol.

Molecular Properties

Compound Name3-[1-[3-(3-hydroxycyclohexyl)propyl]-3,4-dimethylpiperidin-4-yl]phenol
PubChem CID70411129
Molecular FormulaC22H35NO2
Molecular Weight345.53 g/mol
Exact Mass345.27
IUPAC Name3-[1-[3-(3-hydroxycyclohexyl)propyl]-3,4-dimethylpiperidin-4-yl]phenol
SMILESCC1CN(CCCC2CCCC(O)C2)CCC1(C)c1cccc(O)c1
InChIInChI=1S/C22H35NO2/c1-17-16-23(12-5-7-18-6-3-9-20(24)14-18)13-11-22(17,2)19-8-4-10-21(25)15-19/h4,8,10,15,17-18,20,24-25H,3,5-7,9,11-14,16H2,1-2H3
InChIKeyRAXDFDTYONHZGI-UHFFFAOYSA-N
XLogP4.32
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.53
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(3-hydroxycyclohexyl)propyl]-3,4-dimethylpiperidin-4-yl]phenol?
The IUPAC name of 3-[1-[3-(3-hydroxycyclohexyl)propyl]-3,4-dimethylpiperidin-4-yl]phenol (CID 70411129) is 3-[1-[3-(3-hydroxycyclohexyl)propyl]-3,4-dimethylpiperidin-4-yl]phenol.
What is the SMILES notation for 3-[1-[3-(3-hydroxycyclohexyl)propyl]-3,4-dimethylpiperidin-4-yl]phenol?
The canonical SMILES for 3-[1-[3-(3-hydroxycyclohexyl)propyl]-3,4-dimethylpiperidin-4-yl]phenol is CC1CN(CCCC2CCCC(O)C2)CCC1(C)c1cccc(O)c1.
What is the InChIKey of 3-[1-[3-(3-hydroxycyclohexyl)propyl]-3,4-dimethylpiperidin-4-yl]phenol?
The InChIKey is RAXDFDTYONHZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35NO2/c1-17-16-23(12-5-7-18-6-3-9-20(24)14-18)13-11-22(17,2)19-8-4-10-21(25)15-19/h4,8,10,15,17-18,20,24-25H,3,5-7,9,11-14,16H2,1-2H3.
What are the key properties of 3-[1-[3-(3-hydroxycyclohexyl)propyl]-3,4-dimethylpiperidin-4-yl]phenol?
3-[1-[3-(3-hydroxycyclohexyl)propyl]-3,4-dimethylpiperidin-4-yl]phenol has a molecular weight of 345.53 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(3-hydroxycyclohexyl)propyl]-3,4-dimethylpiperidin-4-yl]phenol is sourced from PubChem (CID 70411129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).