1-[(4-ethoxyphenyl)methyl]-4-[(3R)-3-methylpiperidin-1-yl]piperidine

C20H32N2O — CID 806803

IUPAC1-[(4-ethoxyphenyl)methyl]-4-[(3R)-3-methylpiperidin-1-yl]piperidine
SMILESCCOc1ccc(CN2CCC(N3CCC[C@@H](C)C3)CC2)cc1
InChIInChI=1S/C20H32N2O/c1-3-23-20-8-6-18(7-9-20)16-21-13-10-19(11-14-21)22-12-4-5-17(2)15-22/h6-9,17,19H,3-5,10-16H2,1-2H3/t17-/m1/s1
InChIKeyYTKFWXBFVGRGTA-QGZVFWFLSA-N
MW316.49 g/mol
LogP3.78
Rot. Bonds5

About 1-[(4-ethoxyphenyl)methyl]-4-[(3R)-3-methylpiperidin-1-yl]piperidine

1-[(4-ethoxyphenyl)methyl]-4-[(3R)-3-methylpiperidin-1-yl]piperidine (PubChem CID 806803) has the molecular formula C20H32N2O and a molecular weight of 316.49 g/mol. Its IUPAC name is 1-[(4-ethoxyphenyl)methyl]-4-[(3R)-3-methylpiperidin-1-yl]piperidine.

Molecular Properties

Compound Name1-[(4-ethoxyphenyl)methyl]-4-[(3R)-3-methylpiperidin-1-yl]piperidine
PubChem CID806803
Molecular FormulaC20H32N2O
Molecular Weight316.49 g/mol
Exact Mass316.25
IUPAC Name1-[(4-ethoxyphenyl)methyl]-4-[(3R)-3-methylpiperidin-1-yl]piperidine
SMILESCCOc1ccc(CN2CCC(N3CCC[C@@H](C)C3)CC2)cc1
InChIInChI=1S/C20H32N2O/c1-3-23-20-8-6-18(7-9-20)16-21-13-10-19(11-14-21)22-12-4-5-17(2)15-22/h6-9,17,19H,3-5,10-16H2,1-2H3/t17-/m1/s1
InChIKeyYTKFWXBFVGRGTA-QGZVFWFLSA-N
XLogP3.78
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-ethylphenyl)methyl]-4-(3-methylpiperidin-1-yl)piperidine
CID 2910705
1-benzyl-4-(3-methylpiperidin-1-yl)piperidine
CID 2846252
(3S)-1-[(4-ethoxyphenyl)methyl]pyrrolidin-3-amine
CID 94339773
(3R)-1-[(4-ethoxyphenyl)methyl]pyrrolidin-3-amine
CID 68965269
(3S)-3-methyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine
CID 7047234
4-[[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]methyl]morpholine
CID 77091167
1-[(4-ethoxyphenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide;oxalic acid
CID 163328544
1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(3R)-3-methylpiperidin-1-yl]piperidine
CID 1333767
1-[(4-ethoxyphenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine;oxalic acid
CID 2902011
1-(2-adamantyl)-4-[(4-ethoxyphenyl)methyl]piperazine
CID 23881244
(4-ethoxyphenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 669383
4-methyl-1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine
CID 53443850

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethoxyphenyl)methyl]-4-[(3R)-3-methylpiperidin-1-yl]piperidine?
The IUPAC name of 1-[(4-ethoxyphenyl)methyl]-4-[(3R)-3-methylpiperidin-1-yl]piperidine (CID 806803) is 1-[(4-ethoxyphenyl)methyl]-4-[(3R)-3-methylpiperidin-1-yl]piperidine.
What is the SMILES notation for 1-[(4-ethoxyphenyl)methyl]-4-[(3R)-3-methylpiperidin-1-yl]piperidine?
The canonical SMILES for 1-[(4-ethoxyphenyl)methyl]-4-[(3R)-3-methylpiperidin-1-yl]piperidine is CCOc1ccc(CN2CCC(N3CCC[C@@H](C)C3)CC2)cc1.
What is the InChIKey of 1-[(4-ethoxyphenyl)methyl]-4-[(3R)-3-methylpiperidin-1-yl]piperidine?
The InChIKey is YTKFWXBFVGRGTA-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H32N2O/c1-3-23-20-8-6-18(7-9-20)16-21-13-10-19(11-14-21)22-12-4-5-17(2)15-22/h6-9,17,19H,3-5,10-16H2,1-2H3/t17-/m1/s1.
What are the key properties of 1-[(4-ethoxyphenyl)methyl]-4-[(3R)-3-methylpiperidin-1-yl]piperidine?
1-[(4-ethoxyphenyl)methyl]-4-[(3R)-3-methylpiperidin-1-yl]piperidine has a molecular weight of 316.49 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethoxyphenyl)methyl]-4-[(3R)-3-methylpiperidin-1-yl]piperidine is sourced from PubChem (CID 806803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).