[4-(diethoxymethyl)-1-(1-phenylethyl)piperidin-2-yl]methanol

C19H31NO3 — CID 22083389

IUPAC[4-(diethoxymethyl)-1-(1-phenylethyl)piperidin-2-yl]methanol
SMILESCCOC(OCC)C1CCN(C(C)c2ccccc2)C(CO)C1
InChIInChI=1S/C19H31NO3/c1-4-22-19(23-5-2)17-11-12-20(18(13-17)14-21)15(3)16-9-7-6-8-10-16/h6-10,15,17-19,21H,4-5,11-14H2,1-3H3
InChIKeyMVGYZAPZBBVCNT-UHFFFAOYSA-N
MW321.46 g/mol
LogP3.22
Rot. Bonds8

About [4-(diethoxymethyl)-1-(1-phenylethyl)piperidin-2-yl]methanol

[4-(diethoxymethyl)-1-(1-phenylethyl)piperidin-2-yl]methanol (PubChem CID 22083389) has the molecular formula C19H31NO3 and a molecular weight of 321.46 g/mol. Its IUPAC name is [4-(diethoxymethyl)-1-(1-phenylethyl)piperidin-2-yl]methanol.

Molecular Properties

Compound Name[4-(diethoxymethyl)-1-(1-phenylethyl)piperidin-2-yl]methanol
PubChem CID22083389
Molecular FormulaC19H31NO3
Molecular Weight321.46 g/mol
Exact Mass321.23
IUPAC Name[4-(diethoxymethyl)-1-(1-phenylethyl)piperidin-2-yl]methanol
SMILESCCOC(OCC)C1CCN(C(C)c2ccccc2)C(CO)C1
InChIInChI=1S/C19H31NO3/c1-4-22-19(23-5-2)17-11-12-20(18(13-17)14-21)15(3)16-9-7-6-8-10-16/h6-10,15,17-19,21H,4-5,11-14H2,1-3H3
InChIKeyMVGYZAPZBBVCNT-UHFFFAOYSA-N
XLogP3.22
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[(2S)-1-(1-phenylethyl)pyrrolidin-2-yl]methanol
CID 66261742
[(2R)-1-(1-phenylethyl)piperidin-2-yl]methanol
CID 139769246
[(2R,3S)-3-benzyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-yl]methanol
CID 11254918
(2R)-1-[(1R)-1-phenylethyl]azetidine-2-carboxylic acid
CID 21308199
1-[(1R)-1-phenylethyl]-2-propylpiperidine
CID 118395761
1-[1-(1-phenylethyl)piperidin-2-yl]propan-2-ol
CID 114338177
ethyl (2S,3R)-3-methyl-1-(1-phenylethyl)pyrrolidine-2-carboxylate
CID 175772723
methyl 3-ethyl-1-(1-phenylethyl)pyrrolidine-2-carboxylate
CID 123702124
[(1R,3S,4S)-2-[(1R)-1-phenylethyl]-2-azabicyclo[2.2.1]heptan-3-yl]methanol
CID 25324057
[1-(1-phenylethyl)azepan-2-yl]methanamine
CID 116640530
[(1S,3S,4R)-2-[(1S)-1-phenylethyl]-2-azabicyclo[2.2.1]heptan-3-yl]methanol
CID 102488734
1-[1-(1-phenylethyl)pyrrolidin-2-yl]propan-2-one
CID 79546242

Frequently Asked Questions

What is the IUPAC name of [4-(diethoxymethyl)-1-(1-phenylethyl)piperidin-2-yl]methanol?
The IUPAC name of [4-(diethoxymethyl)-1-(1-phenylethyl)piperidin-2-yl]methanol (CID 22083389) is [4-(diethoxymethyl)-1-(1-phenylethyl)piperidin-2-yl]methanol.
What is the SMILES notation for [4-(diethoxymethyl)-1-(1-phenylethyl)piperidin-2-yl]methanol?
The canonical SMILES for [4-(diethoxymethyl)-1-(1-phenylethyl)piperidin-2-yl]methanol is CCOC(OCC)C1CCN(C(C)c2ccccc2)C(CO)C1.
What is the InChIKey of [4-(diethoxymethyl)-1-(1-phenylethyl)piperidin-2-yl]methanol?
The InChIKey is MVGYZAPZBBVCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO3/c1-4-22-19(23-5-2)17-11-12-20(18(13-17)14-21)15(3)16-9-7-6-8-10-16/h6-10,15,17-19,21H,4-5,11-14H2,1-3H3.
What are the key properties of [4-(diethoxymethyl)-1-(1-phenylethyl)piperidin-2-yl]methanol?
[4-(diethoxymethyl)-1-(1-phenylethyl)piperidin-2-yl]methanol has a molecular weight of 321.46 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(diethoxymethyl)-1-(1-phenylethyl)piperidin-2-yl]methanol is sourced from PubChem (CID 22083389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).