[(3S)-3-hydroxypiperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone

C15H21NO3 — CID 39950124

IUPAC[(3S)-3-hydroxypiperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1ccc(C(=O)N2CCC[C@H](O)C2)cc1
InChIInChI=1S/C15H21NO3/c1-11(2)19-14-7-5-12(6-8-14)15(18)16-9-3-4-13(17)10-16/h5-8,11,13,17H,3-4,9-10H2,1-2H3/t13-/m0/s1
InChIKeyVRIZHEYPMAXTKE-ZDUSSCGKSA-N
MW263.34 g/mol
LogP2.07
Rot. Bonds3

About [(3S)-3-hydroxypiperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone

[(3S)-3-hydroxypiperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone (PubChem CID 39950124) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is [(3S)-3-hydroxypiperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name[(3S)-3-hydroxypiperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone
PubChem CID39950124
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name[(3S)-3-hydroxypiperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1ccc(C(=O)N2CCC[C@H](O)C2)cc1
InChIInChI=1S/C15H21NO3/c1-11(2)19-14-7-5-12(6-8-14)15(18)16-9-3-4-13(17)10-16/h5-8,11,13,17H,3-4,9-10H2,1-2H3/t13-/m0/s1
InChIKeyVRIZHEYPMAXTKE-ZDUSSCGKSA-N
XLogP2.07
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3-hydroxypyrrolidin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 66262351
[(3R)-3-hydroxypiperidin-1-yl]-(4-phenoxyphenyl)methanone
CID 51458046
(4-butan-2-yloxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111825794
1-[4-(4-propan-2-yloxybenzoyl)-1,4-diazepan-1-yl]ethanone
CID 110805535
(3-hydroxypiperidin-1-yl)-(4-pentoxyphenyl)methanone
CID 110878335
(3-hydroxypiperidin-1-yl)-(4-iodophenyl)methanone
CID 43390619
4-[(3S)-3-hydroxypiperidine-1-carbonyl]benzamide
CID 93040598
[4-(ethylamino)phenyl]-(3-hydroxypiperidin-1-yl)methanone
CID 62178263
N-cyclopropyl-3-[(3S)-1-(4-propan-2-yloxybenzoyl)piperidin-3-yl]propanamide
CID 42308218
1-(4-propan-2-yloxybenzoyl)piperidine-4-carboxylic acid
CID 17200636
[(3S)-3-hydroxypiperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 93032469
[3-(2-chloroethyl)pyrrolidin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 114801057

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-hydroxypiperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone?
The IUPAC name of [(3S)-3-hydroxypiperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone (CID 39950124) is [(3S)-3-hydroxypiperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone.
What is the SMILES notation for [(3S)-3-hydroxypiperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone?
The canonical SMILES for [(3S)-3-hydroxypiperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone is CC(C)Oc1ccc(C(=O)N2CCC[C@H](O)C2)cc1.
What is the InChIKey of [(3S)-3-hydroxypiperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone?
The InChIKey is VRIZHEYPMAXTKE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11(2)19-14-7-5-12(6-8-14)15(18)16-9-3-4-13(17)10-16/h5-8,11,13,17H,3-4,9-10H2,1-2H3/t13-/m0/s1.
What are the key properties of [(3S)-3-hydroxypiperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone?
[(3S)-3-hydroxypiperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone has a molecular weight of 263.34 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-hydroxypiperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 39950124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).