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

C19H27NO3 — CID 110907581

IUPAC[4-(2,5-dimethylphenoxy)piperidin-1-yl]-(1-hydroxycyclopentyl)methanone
SMILESCc1ccc(C)c(OC2CCN(C(=O)C3(O)CCCC3)CC2)c1
InChIInChI=1S/C19H27NO3/c1-14-5-6-15(2)17(13-14)23-16-7-11-20(12-8-16)18(21)19(22)9-3-4-10-19/h5-6,13,16,22H,3-4,7-12H2,1-2H3
InChIKeyUWKNFSBSEJVVIP-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.98
Rot. Bonds3

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

[4-(2,5-dimethylphenoxy)piperidin-1-yl]-(1-hydroxycyclopentyl)methanone (PubChem CID 110907581) 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]-(1-hydroxycyclopentyl)methanone.

Molecular Properties

Compound Name[4-(2,5-dimethylphenoxy)piperidin-1-yl]-(1-hydroxycyclopentyl)methanone
PubChem CID110907581
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name[4-(2,5-dimethylphenoxy)piperidin-1-yl]-(1-hydroxycyclopentyl)methanone
SMILESCc1ccc(C)c(OC2CCN(C(=O)C3(O)CCCC3)CC2)c1
InChIInChI=1S/C19H27NO3/c1-14-5-6-15(2)17(13-14)23-16-7-11-20(12-8-16)18(21)19(22)9-3-4-10-19/h5-6,13,16,22H,3-4,7-12H2,1-2H3
InChIKeyUWKNFSBSEJVVIP-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
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
[4-(2,5-dimethylphenoxy)piperidin-1-yl]-(2-hydroxycyclopentyl)methanone
CID 110014286
[4-(2,5-dimethylphenoxy)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride
CID 120927660
cis-(1R,2S)-2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]cyclohexan-1-ol
CID 97327792
(2S)-2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]propanamide
CID 94199164
[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
(1-aminocyclohexyl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone
CID 119292106
(2S)-1-[4-(2,5-dimethylphenoxy)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 94624231
[4-(2,5-dimethylphenoxy)piperidin-1-yl]-[(2S)-morpholin-2-yl]methanone
CID 124695881
(E)-1-[4-(2,5-dimethylphenoxy)piperidin-1-yl]-3-(2-fluorophenyl)prop-2-en-1-one
CID 98935945

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dimethylphenoxy)piperidin-1-yl]-(1-hydroxycyclopentyl)methanone?
The IUPAC name of [4-(2,5-dimethylphenoxy)piperidin-1-yl]-(1-hydroxycyclopentyl)methanone (CID 110907581) is [4-(2,5-dimethylphenoxy)piperidin-1-yl]-(1-hydroxycyclopentyl)methanone.
What is the SMILES notation for [4-(2,5-dimethylphenoxy)piperidin-1-yl]-(1-hydroxycyclopentyl)methanone?
The canonical SMILES for [4-(2,5-dimethylphenoxy)piperidin-1-yl]-(1-hydroxycyclopentyl)methanone is Cc1ccc(C)c(OC2CCN(C(=O)C3(O)CCCC3)CC2)c1.
What is the InChIKey of [4-(2,5-dimethylphenoxy)piperidin-1-yl]-(1-hydroxycyclopentyl)methanone?
The InChIKey is UWKNFSBSEJVVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3/c1-14-5-6-15(2)17(13-14)23-16-7-11-20(12-8-16)18(21)19(22)9-3-4-10-19/h5-6,13,16,22H,3-4,7-12H2,1-2H3.
What are the key properties of [4-(2,5-dimethylphenoxy)piperidin-1-yl]-(1-hydroxycyclopentyl)methanone?
[4-(2,5-dimethylphenoxy)piperidin-1-yl]-(1-hydroxycyclopentyl)methanone has a molecular weight of 317.43 g/mol, XLogP of 2.98, 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]-(1-hydroxycyclopentyl)methanone is sourced from PubChem (CID 110907581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).