4-tert-butyl-2-[[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methyl]phenol

C19H30N2O3 — CID 95708185

IUPAC4-tert-butyl-2-[[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methyl]phenol
SMILESCC(C)(C)c1ccc(O)c(CN2CCO[C@]3(CNCCOC3)C2)c1
InChIInChI=1S/C19H30N2O3/c1-18(2,3)16-4-5-17(22)15(10-16)11-21-7-9-24-19(13-21)12-20-6-8-23-14-19/h4-5,10,20,22H,6-9,11-14H2,1-3H3/t19-/m1/s1
InChIKeyAWZZADHGQZLIFO-LJQANCHMSA-N
MW334.46 g/mol
LogP1.88
Rot. Bonds2

About 4-tert-butyl-2-[[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methyl]phenol

4-tert-butyl-2-[[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methyl]phenol (PubChem CID 95708185) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 4-tert-butyl-2-[[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methyl]phenol.

Molecular Properties

Compound Name4-tert-butyl-2-[[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methyl]phenol
PubChem CID95708185
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name4-tert-butyl-2-[[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methyl]phenol
SMILESCC(C)(C)c1ccc(O)c(CN2CCO[C@]3(CNCCOC3)C2)c1
InChIInChI=1S/C19H30N2O3/c1-18(2,3)16-4-5-17(22)15(10-16)11-21-7-9-24-19(13-21)12-20-6-8-23-14-19/h4-5,10,20,22H,6-9,11-14H2,1-3H3/t19-/m1/s1
InChIKeyAWZZADHGQZLIFO-LJQANCHMSA-N
XLogP1.88
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-2-[[4-[(5-tert-butyl-2-hydroxyphenyl)methyl]piperazin-1-yl]methyl]phenol
CID 1098143
(6R)-4-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 95229546
2-[(2,2-dimethylmorpholin-4-yl)methyl]-4-fluorophenol
CID 103947549
1-[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-methylpropan-1-one
CID 97494594
2-[(2,2-dimethylmorpholin-4-yl)methyl]-4-methoxyphenol
CID 82977089
1-(1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-2-(2-methoxyphenoxy)-2-methylpropan-1-one
CID 56882429
(6S)-4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 95717928
[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(2-methyl-1-benzofuran-7-yl)methanone
CID 95721471
1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl-(2-methyl-1-benzofuran-7-yl)methanone
CID 56896829
(6S)-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 97398278
(6S)-4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 95444971
2-(benzotriazol-2-yl)-1-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]ethanone
CID 95722302

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methyl]phenol?
The IUPAC name of 4-tert-butyl-2-[[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methyl]phenol (CID 95708185) is 4-tert-butyl-2-[[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methyl]phenol.
What is the SMILES notation for 4-tert-butyl-2-[[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methyl]phenol?
The canonical SMILES for 4-tert-butyl-2-[[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methyl]phenol is CC(C)(C)c1ccc(O)c(CN2CCO[C@]3(CNCCOC3)C2)c1.
What is the InChIKey of 4-tert-butyl-2-[[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methyl]phenol?
The InChIKey is AWZZADHGQZLIFO-LJQANCHMSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-18(2,3)16-4-5-17(22)15(10-16)11-21-7-9-24-19(13-21)12-20-6-8-23-14-19/h4-5,10,20,22H,6-9,11-14H2,1-3H3/t19-/m1/s1.
What are the key properties of 4-tert-butyl-2-[[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methyl]phenol?
4-tert-butyl-2-[[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methyl]phenol has a molecular weight of 334.46 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methyl]phenol is sourced from PubChem (CID 95708185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).