[1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-4-yl]-(4-methylphenyl)methanone

C19H29NO3 — CID 78903776

IUPAC[1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-4-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)C2CCN(CC(O)COC(C)C)CC2)cc1
InChIInChI=1S/C19H29NO3/c1-14(2)23-13-18(21)12-20-10-8-17(9-11-20)19(22)16-6-4-15(3)5-7-16/h4-7,14,17-18,21H,8-13H2,1-3H3
InChIKeyVSJGNGXHVQECFA-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.68
Rot. Bonds7

About [1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-4-yl]-(4-methylphenyl)methanone

[1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-4-yl]-(4-methylphenyl)methanone (PubChem CID 78903776) has the molecular formula C19H29NO3 and a molecular weight of 319.45 g/mol. Its IUPAC name is [1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-4-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-4-yl]-(4-methylphenyl)methanone
PubChem CID78903776
Molecular FormulaC19H29NO3
Molecular Weight319.45 g/mol
Exact Mass319.21
IUPAC Name[1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-4-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)C2CCN(CC(O)COC(C)C)CC2)cc1
InChIInChI=1S/C19H29NO3/c1-14(2)23-13-18(21)12-20-10-8-17(9-11-20)19(22)16-6-4-15(3)5-7-16/h4-7,14,17-18,21H,8-13H2,1-3H3
InChIKeyVSJGNGXHVQECFA-UHFFFAOYSA-N
XLogP2.68
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-hydroxy-3-phenoxypropyl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 87022270
4-[2-hydroxy-3-[4-(4-methylbenzoyl)piperidin-1-yl]propoxy]benzonitrile
CID 55865672
[1-[(2R)-2-hydroxybutyl]piperidin-4-yl]-phenylmethanone
CID 111487256
(4-fluorophenyl)-[1-[2-methoxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]methanone
CID 23515444
(4-chlorophenyl)-[1-(2-methylpropyl)piperidin-4-yl]methanone
CID 57128692
(2S)-N-cyclopropyl-2-hydroxy-2-[1-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]piperidin-4-yl]acetamide
CID 129490017
(2S)-N-cyclopropyl-2-hydroxy-2-[1-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]piperidin-4-yl]acetamide
CID 129490018
[4-(2-hydroxy-3-propan-2-yloxypropyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 78849337
1-(4-piperidin-1-ylpiperidin-1-yl)-3-propan-2-yloxypropan-2-ol
CID 60966443
4-[3-(4-benzoylpiperidin-1-yl)-2-hydroxypropoxy]benzonitrile
CID 55504363
1-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 78895879
[1-(2-methylpropyl)piperidin-4-yl]-pyridin-4-ylmethanone
CID 174877965

Frequently Asked Questions

What is the IUPAC name of [1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-4-yl]-(4-methylphenyl)methanone?
The IUPAC name of [1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-4-yl]-(4-methylphenyl)methanone (CID 78903776) is [1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-4-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-4-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-4-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)C2CCN(CC(O)COC(C)C)CC2)cc1.
What is the InChIKey of [1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-4-yl]-(4-methylphenyl)methanone?
The InChIKey is VSJGNGXHVQECFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3/c1-14(2)23-13-18(21)12-20-10-8-17(9-11-20)19(22)16-6-4-15(3)5-7-16/h4-7,14,17-18,21H,8-13H2,1-3H3.
What are the key properties of [1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-4-yl]-(4-methylphenyl)methanone?
[1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-4-yl]-(4-methylphenyl)methanone has a molecular weight of 319.45 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-4-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 78903776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).