[4-(2,5-dimethylphenoxy)piperidin-1-yl]-spiro[2.5]octan-6-ylmethanone

C22H31NO2 — CID 154877625

IUPAC[4-(2,5-dimethylphenoxy)piperidin-1-yl]-spiro[2.5]octan-6-ylmethanone
SMILESCc1ccc(C)c(OC2CCN(C(=O)C3CCC4(CC3)CC4)CC2)c1
InChIInChI=1S/C22H31NO2/c1-16-3-4-17(2)20(15-16)25-19-7-13-23(14-8-19)21(24)18-5-9-22(10-6-18)11-12-22/h3-4,15,18-19H,5-14H2,1-2H3
InChIKeyLUTRBHTYUBCULI-UHFFFAOYSA-N
MW341.50 g/mol
LogP4.64
Rot. Bonds3

About [4-(2,5-dimethylphenoxy)piperidin-1-yl]-spiro[2.5]octan-6-ylmethanone

[4-(2,5-dimethylphenoxy)piperidin-1-yl]-spiro[2.5]octan-6-ylmethanone (PubChem CID 154877625) has the molecular formula C22H31NO2 and a molecular weight of 341.50 g/mol. Its IUPAC name is [4-(2,5-dimethylphenoxy)piperidin-1-yl]-spiro[2.5]octan-6-ylmethanone.

Molecular Properties

Compound Name[4-(2,5-dimethylphenoxy)piperidin-1-yl]-spiro[2.5]octan-6-ylmethanone
PubChem CID154877625
Molecular FormulaC22H31NO2
Molecular Weight341.50 g/mol
Exact Mass341.24
IUPAC Name[4-(2,5-dimethylphenoxy)piperidin-1-yl]-spiro[2.5]octan-6-ylmethanone
SMILESCc1ccc(C)c(OC2CCN(C(=O)C3CCC4(CC3)CC4)CC2)c1
InChIInChI=1S/C22H31NO2/c1-16-3-4-17(2)20(15-16)25-19-7-13-23(14-8-19)21(24)18-5-9-22(10-6-18)11-12-22/h3-4,15,18-19H,5-14H2,1-2H3
InChIKeyLUTRBHTYUBCULI-UHFFFAOYSA-N
XLogP4.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2,5-dimethylphenoxy)piperidin-1-yl]-(2-hydroxycyclopentyl)methanone
CID 110014286
[4-(2,5-dimethylphenoxy)piperidin-1-yl]-(1-hydroxycyclopentyl)methanone
CID 110907581
[4-(2,5-dimethylphenoxy)piperidin-1-yl]-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone
CID 56540350
[4-(2,5-dimethylphenoxy)piperidin-1-yl]-[(2S)-morpholin-2-yl]methanone
CID 124695881
[1-(benzenesulfonyl)piperidin-2-yl]-[4-(2,5-dimethylphenoxy)piperidin-1-yl]methanone
CID 60574167
2-(2,5-dimethylphenoxy)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 134026636
(2S)-2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]propanamide
CID 94199164
[4-(2,5-dimethylphenoxy)piperidin-1-yl]-(1-methyl-2,3-dihydroindol-6-yl)methanone
CID 75455125
[4-(2,5-dimethylphenoxy)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 145375199
2-amino-1-[4-(2,5-dimethylphenoxy)piperidin-1-yl]-2-methylpentan-1-one
CID 119748409
N-[2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]-2-oxoethyl]benzamide
CID 60574366
cis-(1R,2S)-2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]cyclohexan-1-ol
CID 97327792

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dimethylphenoxy)piperidin-1-yl]-spiro[2.5]octan-6-ylmethanone?
The IUPAC name of [4-(2,5-dimethylphenoxy)piperidin-1-yl]-spiro[2.5]octan-6-ylmethanone (CID 154877625) is [4-(2,5-dimethylphenoxy)piperidin-1-yl]-spiro[2.5]octan-6-ylmethanone.
What is the SMILES notation for [4-(2,5-dimethylphenoxy)piperidin-1-yl]-spiro[2.5]octan-6-ylmethanone?
The canonical SMILES for [4-(2,5-dimethylphenoxy)piperidin-1-yl]-spiro[2.5]octan-6-ylmethanone is Cc1ccc(C)c(OC2CCN(C(=O)C3CCC4(CC3)CC4)CC2)c1.
What is the InChIKey of [4-(2,5-dimethylphenoxy)piperidin-1-yl]-spiro[2.5]octan-6-ylmethanone?
The InChIKey is LUTRBHTYUBCULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO2/c1-16-3-4-17(2)20(15-16)25-19-7-13-23(14-8-19)21(24)18-5-9-22(10-6-18)11-12-22/h3-4,15,18-19H,5-14H2,1-2H3.
What are the key properties of [4-(2,5-dimethylphenoxy)piperidin-1-yl]-spiro[2.5]octan-6-ylmethanone?
[4-(2,5-dimethylphenoxy)piperidin-1-yl]-spiro[2.5]octan-6-ylmethanone has a molecular weight of 341.50 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dimethylphenoxy)piperidin-1-yl]-spiro[2.5]octan-6-ylmethanone is sourced from PubChem (CID 154877625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).