[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-(oxolan-3-yl)methanone

C19H27NO3 — CID 45202488

IUPAC[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-(oxolan-3-yl)methanone
SMILESO=C(C1CCOC1)N1CCC(CO)(CCc2ccccc2)CC1
InChIInChI=1S/C19H27NO3/c21-15-19(8-6-16-4-2-1-3-5-16)9-11-20(12-10-19)18(22)17-7-13-23-14-17/h1-5,17,21H,6-15H2
InChIKeyBKQRWKUKDDVMHT-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.26
Rot. Bonds5

About [4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-(oxolan-3-yl)methanone

[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-(oxolan-3-yl)methanone (PubChem CID 45202488) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is [4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-(oxolan-3-yl)methanone.

Molecular Properties

Compound Name[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-(oxolan-3-yl)methanone
PubChem CID45202488
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-(oxolan-3-yl)methanone
SMILESO=C(C1CCOC1)N1CCC(CO)(CCc2ccccc2)CC1
InChIInChI=1S/C19H27NO3/c21-15-19(8-6-16-4-2-1-3-5-16)9-11-20(12-10-19)18(22)17-7-13-23-14-17/h1-5,17,21H,6-15H2
InChIKeyBKQRWKUKDDVMHT-UHFFFAOYSA-N
XLogP2.26
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-(oxolane-3-carbonyl)-4-(2-phenylethyl)piperidine-4-carboxylate
CID 45190006
(5S)-5-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 29085018
[(3S)-oxolan-3-yl]-(4-phenylmethoxypiperidin-1-yl)methanone
CID 95272421
(2R)-1-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-2-morpholin-4-ylpropan-1-one
CID 29085394
3-(oxolane-3-carbonyl)-11-(3-phenylpropyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
CID 135117107
1-[(3R)-oxolane-3-carbonyl]-4-phenoxypiperidine-4-carboxylic acid
CID 95880890
1-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one
CID 25279824
tert-butyl 4-(hydroxymethyl)-4-(2-phenylethyl)piperidine-1-carboxylate
CID 135323439
[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 95894763
4-[1-(oxolane-3-carbonyl)piperidin-4-yl]oxy-N-(2-phenylethyl)benzamide
CID 45236126
[1-(oxan-4-yl)-3-(2-phenylethyl)piperidin-3-yl]methanol
CID 45171513
[4-[2-(benzenesulfonyl)ethyl]-1,4-diazepan-1-yl]-(oxolan-3-yl)methanone
CID 137345568

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-(oxolan-3-yl)methanone?
The IUPAC name of [4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-(oxolan-3-yl)methanone (CID 45202488) is [4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-(oxolan-3-yl)methanone.
What is the SMILES notation for [4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-(oxolan-3-yl)methanone?
The canonical SMILES for [4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-(oxolan-3-yl)methanone is O=C(C1CCOC1)N1CCC(CO)(CCc2ccccc2)CC1.
What is the InChIKey of [4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-(oxolan-3-yl)methanone?
The InChIKey is BKQRWKUKDDVMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3/c21-15-19(8-6-16-4-2-1-3-5-16)9-11-20(12-10-19)18(22)17-7-13-23-14-17/h1-5,17,21H,6-15H2.
What are the key properties of [4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-(oxolan-3-yl)methanone?
[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-(oxolan-3-yl)methanone has a molecular weight of 317.43 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-(oxolan-3-yl)methanone is sourced from PubChem (CID 45202488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).