2,3,4-trimethyl-6-[1-[(7S)-5-oxa-2-azaspiro[3.4]octan-7-yl]piperidin-4-yl]phenol

C20H30N2O2 — CID 170384163

IUPAC2,3,4-trimethyl-6-[1-[(7S)-5-oxa-2-azaspiro[3.4]octan-7-yl]piperidin-4-yl]phenol
SMILESCc1cc(C2CCN([C@@H]3COC4(CNC4)C3)CC2)c(O)c(C)c1C
InChIInChI=1S/C20H30N2O2/c1-13-8-18(19(23)15(3)14(13)2)16-4-6-22(7-5-16)17-9-20(24-10-17)11-21-12-20/h8,16-17,21,23H,4-7,9-12H2,1-3H3/t17-/m0/s1
InChIKeyDWTBAGDAJSDIAZ-KRWDZBQOSA-N
MW330.47 g/mol
LogP2.63
Rot. Bonds2

About 2,3,4-trimethyl-6-[1-[(7S)-5-oxa-2-azaspiro[3.4]octan-7-yl]piperidin-4-yl]phenol

2,3,4-trimethyl-6-[1-[(7S)-5-oxa-2-azaspiro[3.4]octan-7-yl]piperidin-4-yl]phenol (PubChem CID 170384163) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 2,3,4-trimethyl-6-[1-[(7S)-5-oxa-2-azaspiro[3.4]octan-7-yl]piperidin-4-yl]phenol.

Molecular Properties

Compound Name2,3,4-trimethyl-6-[1-[(7S)-5-oxa-2-azaspiro[3.4]octan-7-yl]piperidin-4-yl]phenol
PubChem CID170384163
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name2,3,4-trimethyl-6-[1-[(7S)-5-oxa-2-azaspiro[3.4]octan-7-yl]piperidin-4-yl]phenol
SMILESCc1cc(C2CCN([C@@H]3COC4(CNC4)C3)CC2)c(O)c(C)c1C
InChIInChI=1S/C20H30N2O2/c1-13-8-18(19(23)15(3)14(13)2)16-4-6-22(7-5-16)17-9-20(24-10-17)11-21-12-20/h8,16-17,21,23H,4-7,9-12H2,1-3H3/t17-/m0/s1
InChIKeyDWTBAGDAJSDIAZ-KRWDZBQOSA-N
XLogP2.63
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(7S)-2-methyl-7-[4-(2,3,4,5-tetramethylphenyl)piperidin-1-yl]-5-oxa-2-azaspiro[3.4]octane
CID 170384202
2-methyl-7-[4-(3,4,5-trimethyl-2-phenylmethoxyphenyl)piperidin-1-yl]-5-oxa-2-azaspiro[3.4]octane
CID 167679402
(7S)-7-piperidin-1-yl-5-oxa-2-azaspiro[3.4]octane
CID 167264877
3-[6-[1-[(6R)-2-azaspiro[3.4]octan-6-yl]piperidin-4-yl]-2,3,4-trimethylphenyl]cyclopentan-1-ol
CID 170000068
tert-butyl (7S)-7-[4-[3,4,5-trimethyl-2-[(E)-oxolan-3-ylidenemethyl]phenyl]piperidin-1-yl]-5-oxa-2-azaspiro[3.4]octane-2-carboxylate
CID 170384192
2,3,6-trimethyl-4-piperidin-4-ylphenol
CID 117116552
7-[4-(5-fluoro-2-phenylmethoxyphenyl)piperidin-1-yl]-2-methyl-5-oxa-2-azaspiro[3.4]octane
CID 167679399
1-[(1S,5S)-3-bicyclo[3.2.1]octanyl]-4-(2-methylphenyl)piperidine
CID 124635425
[5-chloro-2-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]methanimine
CID 155469053
(7S)-7-[4-(2-butoxy-5-fluorophenyl)piperidin-1-yl]-2-(1,3,4-oxadiazol-2-yl)-5-oxa-2-azaspiro[3.4]octane
CID 166512107
1-(3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 155879884
(4-methylphenyl)-[(3S)-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97385574

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethyl-6-[1-[(7S)-5-oxa-2-azaspiro[3.4]octan-7-yl]piperidin-4-yl]phenol?
The IUPAC name of 2,3,4-trimethyl-6-[1-[(7S)-5-oxa-2-azaspiro[3.4]octan-7-yl]piperidin-4-yl]phenol (CID 170384163) is 2,3,4-trimethyl-6-[1-[(7S)-5-oxa-2-azaspiro[3.4]octan-7-yl]piperidin-4-yl]phenol.
What is the SMILES notation for 2,3,4-trimethyl-6-[1-[(7S)-5-oxa-2-azaspiro[3.4]octan-7-yl]piperidin-4-yl]phenol?
The canonical SMILES for 2,3,4-trimethyl-6-[1-[(7S)-5-oxa-2-azaspiro[3.4]octan-7-yl]piperidin-4-yl]phenol is Cc1cc(C2CCN([C@@H]3COC4(CNC4)C3)CC2)c(O)c(C)c1C.
What is the InChIKey of 2,3,4-trimethyl-6-[1-[(7S)-5-oxa-2-azaspiro[3.4]octan-7-yl]piperidin-4-yl]phenol?
The InChIKey is DWTBAGDAJSDIAZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-13-8-18(19(23)15(3)14(13)2)16-4-6-22(7-5-16)17-9-20(24-10-17)11-21-12-20/h8,16-17,21,23H,4-7,9-12H2,1-3H3/t17-/m0/s1.
What are the key properties of 2,3,4-trimethyl-6-[1-[(7S)-5-oxa-2-azaspiro[3.4]octan-7-yl]piperidin-4-yl]phenol?
2,3,4-trimethyl-6-[1-[(7S)-5-oxa-2-azaspiro[3.4]octan-7-yl]piperidin-4-yl]phenol has a molecular weight of 330.47 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethyl-6-[1-[(7S)-5-oxa-2-azaspiro[3.4]octan-7-yl]piperidin-4-yl]phenol is sourced from PubChem (CID 170384163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).