2-[1-(3-azaspiro[5.5]undecan-3-yl)ethyl]-5-methylphenol

C19H29NO — CID 82959418

IUPAC2-[1-(3-azaspiro[5.5]undecan-3-yl)ethyl]-5-methylphenol
SMILESCc1ccc(C(C)N2CCC3(CCCCC3)CC2)c(O)c1
InChIInChI=1S/C19H29NO/c1-15-6-7-17(18(21)14-15)16(2)20-12-10-19(11-13-20)8-4-3-5-9-19/h6-7,14,16,21H,3-5,8-13H2,1-2H3
InChIKeyZWPBPSOSKAHXIT-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.81
Rot. Bonds2

About 2-[1-(3-azaspiro[5.5]undecan-3-yl)ethyl]-5-methylphenol

2-[1-(3-azaspiro[5.5]undecan-3-yl)ethyl]-5-methylphenol (PubChem CID 82959418) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 2-[1-(3-azaspiro[5.5]undecan-3-yl)ethyl]-5-methylphenol.

Molecular Properties

Compound Name2-[1-(3-azaspiro[5.5]undecan-3-yl)ethyl]-5-methylphenol
PubChem CID82959418
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name2-[1-(3-azaspiro[5.5]undecan-3-yl)ethyl]-5-methylphenol
SMILESCc1ccc(C(C)N2CCC3(CCCCC3)CC2)c(O)c1
InChIInChI=1S/C19H29NO/c1-15-6-7-17(18(21)14-15)16(2)20-12-10-19(11-13-20)8-4-3-5-9-19/h6-7,14,16,21H,3-5,8-13H2,1-2H3
InChIKeyZWPBPSOSKAHXIT-UHFFFAOYSA-N
XLogP4.81
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[1-(3,3-dimethylpiperidin-1-yl)ethyl]-5-methylphenol
CID 82980851
5-methyl-2-[(1R)-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171294351
5-methyl-2-[1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]phenol
CID 82965331
2-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-5-methylphenol
CID 82977653
5-methyl-2-[1-(4-methylsulfonylpiperazin-1-yl)ethyl]phenol
CID 82979303
2-[1-(4-tert-butylazepan-1-yl)ethyl]-5-methylphenol
CID 82965233
5-methyl-2-[1-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]phenol
CID 82961971
2-[1-(1,3-dihydroisoindol-2-yl)ethyl]-5-methylphenol
CID 82979195
4-methyl-2-[1-[4-methyl-4-(methylamino)piperidin-1-yl]ethyl]phenol
CID 115304157
2-(1-aminoethyl)-5-(8-azaspiro[4.5]decan-8-yl)phenol
CID 79603647
2-[1-[(1-hydroxycyclohexyl)methylamino]ethyl]-5-methylphenol
CID 65107647
5-methoxy-2-(1-pyrrolidin-1-ylethyl)phenol
CID 82974711

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-azaspiro[5.5]undecan-3-yl)ethyl]-5-methylphenol?
The IUPAC name of 2-[1-(3-azaspiro[5.5]undecan-3-yl)ethyl]-5-methylphenol (CID 82959418) is 2-[1-(3-azaspiro[5.5]undecan-3-yl)ethyl]-5-methylphenol.
What is the SMILES notation for 2-[1-(3-azaspiro[5.5]undecan-3-yl)ethyl]-5-methylphenol?
The canonical SMILES for 2-[1-(3-azaspiro[5.5]undecan-3-yl)ethyl]-5-methylphenol is Cc1ccc(C(C)N2CCC3(CCCCC3)CC2)c(O)c1.
What is the InChIKey of 2-[1-(3-azaspiro[5.5]undecan-3-yl)ethyl]-5-methylphenol?
The InChIKey is ZWPBPSOSKAHXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-15-6-7-17(18(21)14-15)16(2)20-12-10-19(11-13-20)8-4-3-5-9-19/h6-7,14,16,21H,3-5,8-13H2,1-2H3.
What are the key properties of 2-[1-(3-azaspiro[5.5]undecan-3-yl)ethyl]-5-methylphenol?
2-[1-(3-azaspiro[5.5]undecan-3-yl)ethyl]-5-methylphenol has a molecular weight of 287.45 g/mol, XLogP of 4.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-azaspiro[5.5]undecan-3-yl)ethyl]-5-methylphenol is sourced from PubChem (CID 82959418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).