1-(3-methyl-4-phenylpiperidin-1-yl)-3-(oxolan-2-ylmethoxy)propan-2-ol

C20H31NO3 — CID 111462786

IUPAC1-(3-methyl-4-phenylpiperidin-1-yl)-3-(oxolan-2-ylmethoxy)propan-2-ol
SMILESCC1CN(CC(O)COCC2CCCO2)CCC1c1ccccc1
InChIInChI=1S/C20H31NO3/c1-16-12-21(10-9-20(16)17-6-3-2-4-7-17)13-18(22)14-23-15-19-8-5-11-24-19/h2-4,6-7,16,18-20,22H,5,8-15H2,1H3
InChIKeyZFTQBINUQLOMGF-UHFFFAOYSA-N
MW333.47 g/mol
LogP2.67
Rot. Bonds7

About 1-(3-methyl-4-phenylpiperidin-1-yl)-3-(oxolan-2-ylmethoxy)propan-2-ol

1-(3-methyl-4-phenylpiperidin-1-yl)-3-(oxolan-2-ylmethoxy)propan-2-ol (PubChem CID 111462786) has the molecular formula C20H31NO3 and a molecular weight of 333.47 g/mol. Its IUPAC name is 1-(3-methyl-4-phenylpiperidin-1-yl)-3-(oxolan-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(3-methyl-4-phenylpiperidin-1-yl)-3-(oxolan-2-ylmethoxy)propan-2-ol
PubChem CID111462786
Molecular FormulaC20H31NO3
Molecular Weight333.47 g/mol
Exact Mass333.23
IUPAC Name1-(3-methyl-4-phenylpiperidin-1-yl)-3-(oxolan-2-ylmethoxy)propan-2-ol
SMILESCC1CN(CC(O)COCC2CCCO2)CCC1c1ccccc1
InChIInChI=1S/C20H31NO3/c1-16-12-21(10-9-20(16)17-6-3-2-4-7-17)13-18(22)14-23-15-19-8-5-11-24-19/h2-4,6-7,16,18-20,22H,5,8-15H2,1H3
InChIKeyZFTQBINUQLOMGF-UHFFFAOYSA-N
XLogP2.67
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.47
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methyl-4-phenylpiperidin-1-yl)-3-propan-2-yloxypropan-2-ol
CID 111462788
1-[(3R,5S)-3,5-dimethylazepan-1-yl]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 146138021
4-[1-[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]piperidin-4-yl]phenol
CID 78836914
N-[1-[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]piperidin-4-yl]benzamide
CID 42928020
1-(3-ethylpiperidin-1-yl)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 110888545
(2S)-1-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol
CID 129425639
(2S)-1-[4-[(2S)-2-hydroxy-3-[[(2R)-oxolan-2-yl]methoxy]propyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 124823947
(2R)-1-[4-(3-methylanilino)piperidin-1-yl]-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol
CID 97072323
1-(4,4-dimethylazepan-1-yl)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 111462766
(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol
CID 31263826
(2S)-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol
CID 129425582
1-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 111488930

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-4-phenylpiperidin-1-yl)-3-(oxolan-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-(3-methyl-4-phenylpiperidin-1-yl)-3-(oxolan-2-ylmethoxy)propan-2-ol (CID 111462786) is 1-(3-methyl-4-phenylpiperidin-1-yl)-3-(oxolan-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-(3-methyl-4-phenylpiperidin-1-yl)-3-(oxolan-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-(3-methyl-4-phenylpiperidin-1-yl)-3-(oxolan-2-ylmethoxy)propan-2-ol is CC1CN(CC(O)COCC2CCCO2)CCC1c1ccccc1.
What is the InChIKey of 1-(3-methyl-4-phenylpiperidin-1-yl)-3-(oxolan-2-ylmethoxy)propan-2-ol?
The InChIKey is ZFTQBINUQLOMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO3/c1-16-12-21(10-9-20(16)17-6-3-2-4-7-17)13-18(22)14-23-15-19-8-5-11-24-19/h2-4,6-7,16,18-20,22H,5,8-15H2,1H3.
What are the key properties of 1-(3-methyl-4-phenylpiperidin-1-yl)-3-(oxolan-2-ylmethoxy)propan-2-ol?
1-(3-methyl-4-phenylpiperidin-1-yl)-3-(oxolan-2-ylmethoxy)propan-2-ol has a molecular weight of 333.47 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-4-phenylpiperidin-1-yl)-3-(oxolan-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 111462786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).