[4-(2,5-dimethylphenoxy)piperidin-1-yl]-(2-hydroxycyclopentyl)methanone

C19H27NO3 — CID 110014286

IUPAC[4-(2,5-dimethylphenoxy)piperidin-1-yl]-(2-hydroxycyclopentyl)methanone
SMILESCc1ccc(C)c(OC2CCN(C(=O)C3CCCC3O)CC2)c1
InChIInChI=1S/C19H27NO3/c1-13-6-7-14(2)18(12-13)23-15-8-10-20(11-9-15)19(22)16-4-3-5-17(16)21/h6-7,12,15-17,21H,3-5,8-11H2,1-2H3
InChIKeyWGNRCKGBRKZOAN-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.83
Rot. Bonds3

About [4-(2,5-dimethylphenoxy)piperidin-1-yl]-(2-hydroxycyclopentyl)methanone

[4-(2,5-dimethylphenoxy)piperidin-1-yl]-(2-hydroxycyclopentyl)methanone (PubChem CID 110014286) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is [4-(2,5-dimethylphenoxy)piperidin-1-yl]-(2-hydroxycyclopentyl)methanone.

Molecular Properties

Compound Name[4-(2,5-dimethylphenoxy)piperidin-1-yl]-(2-hydroxycyclopentyl)methanone
PubChem CID110014286
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name[4-(2,5-dimethylphenoxy)piperidin-1-yl]-(2-hydroxycyclopentyl)methanone
SMILESCc1ccc(C)c(OC2CCN(C(=O)C3CCCC3O)CC2)c1
InChIInChI=1S/C19H27NO3/c1-13-6-7-14(2)18(12-13)23-15-8-10-20(11-9-15)19(22)16-4-3-5-17(16)21/h6-7,12,15-17,21H,3-5,8-11H2,1-2H3
InChIKeyWGNRCKGBRKZOAN-UHFFFAOYSA-N
XLogP2.83
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2,5-dimethylphenoxy)piperidin-1-yl]-spiro[2.5]octan-6-ylmethanone
CID 154877625
cis-(1R,2S)-2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]cyclohexan-1-ol
CID 97327792
[4-(2,5-dimethylphenoxy)piperidin-1-yl]-(1-hydroxycyclopentyl)methanone
CID 110907581
[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
(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
trans-(1R,2R)-2-(2,5-dimethylphenoxy)cyclopentan-1-ol
CID 102735392
N-[2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]-2-oxoethyl]benzamide
CID 60574366
2-(2,5-dimethylphenoxy)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 134026636

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dimethylphenoxy)piperidin-1-yl]-(2-hydroxycyclopentyl)methanone?
The IUPAC name of [4-(2,5-dimethylphenoxy)piperidin-1-yl]-(2-hydroxycyclopentyl)methanone (CID 110014286) is [4-(2,5-dimethylphenoxy)piperidin-1-yl]-(2-hydroxycyclopentyl)methanone.
What is the SMILES notation for [4-(2,5-dimethylphenoxy)piperidin-1-yl]-(2-hydroxycyclopentyl)methanone?
The canonical SMILES for [4-(2,5-dimethylphenoxy)piperidin-1-yl]-(2-hydroxycyclopentyl)methanone is Cc1ccc(C)c(OC2CCN(C(=O)C3CCCC3O)CC2)c1.
What is the InChIKey of [4-(2,5-dimethylphenoxy)piperidin-1-yl]-(2-hydroxycyclopentyl)methanone?
The InChIKey is WGNRCKGBRKZOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3/c1-13-6-7-14(2)18(12-13)23-15-8-10-20(11-9-15)19(22)16-4-3-5-17(16)21/h6-7,12,15-17,21H,3-5,8-11H2,1-2H3.
What are the key properties of [4-(2,5-dimethylphenoxy)piperidin-1-yl]-(2-hydroxycyclopentyl)methanone?
[4-(2,5-dimethylphenoxy)piperidin-1-yl]-(2-hydroxycyclopentyl)methanone has a molecular weight of 317.43 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dimethylphenoxy)piperidin-1-yl]-(2-hydroxycyclopentyl)methanone is sourced from PubChem (CID 110014286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).