2-[(3,4-diethoxyphenyl)methyl]piperidine

C16H25NO2 — CID 62791915

IUPAC2-[(3,4-diethoxyphenyl)methyl]piperidine
SMILESCCOc1ccc(CC2CCCCN2)cc1OCC
InChIInChI=1S/C16H25NO2/c1-3-18-15-9-8-13(12-16(15)19-4-2)11-14-7-5-6-10-17-14/h8-9,12,14,17H,3-7,10-11H2,1-2H3
InChIKeyRSKRBWWJTNOFNL-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.17
Rot. Bonds6

About 2-[(3,4-diethoxyphenyl)methyl]piperidine

2-[(3,4-diethoxyphenyl)methyl]piperidine (PubChem CID 62791915) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[(3,4-diethoxyphenyl)methyl]piperidine.

Molecular Properties

Compound Name2-[(3,4-diethoxyphenyl)methyl]piperidine
PubChem CID62791915
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-[(3,4-diethoxyphenyl)methyl]piperidine
SMILESCCOc1ccc(CC2CCCCN2)cc1OCC
InChIInChI=1S/C16H25NO2/c1-3-18-15-9-8-13(12-16(15)19-4-2)11-14-7-5-6-10-17-14/h8-9,12,14,17H,3-7,10-11H2,1-2H3
InChIKeyRSKRBWWJTNOFNL-UHFFFAOYSA-N
XLogP3.17
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-cyclopropyloxy-3-methoxyphenyl)methyl]piperidine
CID 117408287
2-[(3-chloro-4-methoxyphenyl)methyl]piperidine
CID 82084437
2-[[3-(fluoromethyl)-4-methoxyphenyl]methyl]piperidine
CID 117347458
2-(3,4-diethoxyphenyl)piperidine
CID 4544824
2-[(4-methoxy-3-phenylphenyl)methyl]piperidine
CID 117451820
2-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]piperidine
CID 82499355
N-[(4-ethoxy-3-fluorophenyl)methyl]-1-piperidin-2-ylmethanamine
CID 115209327
(2R)-2-[(4-methylphenyl)methyl]piperidine
CID 7048103
2-[[3-chloro-4-(cyclopropylmethoxy)phenyl]methyl]pyrrolidine
CID 117418728
2-[[3-(difluoromethyl)-4-methoxyphenyl]methyl]pyrrolidine
CID 117355063
2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)piperidine
CID 117360963
2-[[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]piperidine
CID 117489930

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-diethoxyphenyl)methyl]piperidine?
The IUPAC name of 2-[(3,4-diethoxyphenyl)methyl]piperidine (CID 62791915) is 2-[(3,4-diethoxyphenyl)methyl]piperidine.
What is the SMILES notation for 2-[(3,4-diethoxyphenyl)methyl]piperidine?
The canonical SMILES for 2-[(3,4-diethoxyphenyl)methyl]piperidine is CCOc1ccc(CC2CCCCN2)cc1OCC.
What is the InChIKey of 2-[(3,4-diethoxyphenyl)methyl]piperidine?
The InChIKey is RSKRBWWJTNOFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-18-15-9-8-13(12-16(15)19-4-2)11-14-7-5-6-10-17-14/h8-9,12,14,17H,3-7,10-11H2,1-2H3.
What are the key properties of 2-[(3,4-diethoxyphenyl)methyl]piperidine?
2-[(3,4-diethoxyphenyl)methyl]piperidine has a molecular weight of 263.38 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-diethoxyphenyl)methyl]piperidine is sourced from PubChem (CID 62791915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).