4-[3-(2,8-diazaspiro[5.5]undecan-2-yl)propyl]phenol

C18H28N2O — CID 82038711

IUPAC4-[3-(2,8-diazaspiro[5.5]undecan-2-yl)propyl]phenol
SMILESOc1ccc(CCCN2CCCC3(CCCNC3)C2)cc1
InChIInChI=1S/C18H28N2O/c21-17-7-5-16(6-8-17)4-1-12-20-13-3-10-18(15-20)9-2-11-19-14-18/h5-8,19,21H,1-4,9-15H2
InChIKeyVUVWKZUCZVWVAY-UHFFFAOYSA-N
MW288.43 g/mol
LogP2.79
Rot. Bonds4

About 4-[3-(2,8-diazaspiro[5.5]undecan-2-yl)propyl]phenol

4-[3-(2,8-diazaspiro[5.5]undecan-2-yl)propyl]phenol (PubChem CID 82038711) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 4-[3-(2,8-diazaspiro[5.5]undecan-2-yl)propyl]phenol.

Molecular Properties

Compound Name4-[3-(2,8-diazaspiro[5.5]undecan-2-yl)propyl]phenol
PubChem CID82038711
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name4-[3-(2,8-diazaspiro[5.5]undecan-2-yl)propyl]phenol
SMILESOc1ccc(CCCN2CCCC3(CCCNC3)C2)cc1
InChIInChI=1S/C18H28N2O/c21-17-7-5-16(6-8-17)4-1-12-20-13-3-10-18(15-20)9-2-11-19-14-18/h5-8,19,21H,1-4,9-15H2
InChIKeyVUVWKZUCZVWVAY-UHFFFAOYSA-N
XLogP2.79
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,8-diazaspiro[5.5]undecan-2-yl)propyl]phenol?
The IUPAC name of 4-[3-(2,8-diazaspiro[5.5]undecan-2-yl)propyl]phenol (CID 82038711) is 4-[3-(2,8-diazaspiro[5.5]undecan-2-yl)propyl]phenol.
What is the SMILES notation for 4-[3-(2,8-diazaspiro[5.5]undecan-2-yl)propyl]phenol?
The canonical SMILES for 4-[3-(2,8-diazaspiro[5.5]undecan-2-yl)propyl]phenol is Oc1ccc(CCCN2CCCC3(CCCNC3)C2)cc1.
What is the InChIKey of 4-[3-(2,8-diazaspiro[5.5]undecan-2-yl)propyl]phenol?
The InChIKey is VUVWKZUCZVWVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c21-17-7-5-16(6-8-17)4-1-12-20-13-3-10-18(15-20)9-2-11-19-14-18/h5-8,19,21H,1-4,9-15H2.
What are the key properties of 4-[3-(2,8-diazaspiro[5.5]undecan-2-yl)propyl]phenol?
4-[3-(2,8-diazaspiro[5.5]undecan-2-yl)propyl]phenol has a molecular weight of 288.43 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,8-diazaspiro[5.5]undecan-2-yl)propyl]phenol is sourced from PubChem (CID 82038711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).