(3S,5S)-1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpiperidine

C16H25NO2 — CID 784275

IUPAC(3S,5S)-1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpiperidine
SMILESCOc1ccc(CN2C[C@@H](C)C[C@H](C)C2)cc1OC
InChIInChI=1S/C16H25NO2/c1-12-7-13(2)10-17(9-12)11-14-5-6-15(18-3)16(8-14)19-4/h5-6,8,12-13H,7,9-11H2,1-4H3/t12-,13-/m0/s1
InChIKeyVPYIBXONAYEZTD-STQMWFEESA-N
MW263.38 g/mol
LogP3.18
Rot. Bonds4

About (3S,5S)-1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpiperidine

(3S,5S)-1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpiperidine (PubChem CID 784275) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is (3S,5S)-1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpiperidine.

Molecular Properties

Compound Name(3S,5S)-1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpiperidine
PubChem CID784275
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name(3S,5S)-1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpiperidine
SMILESCOc1ccc(CN2C[C@@H](C)C[C@H](C)C2)cc1OC
InChIInChI=1S/C16H25NO2/c1-12-7-13(2)10-17(9-12)11-14-5-6-15(18-3)16(8-14)19-4/h5-6,8,12-13H,7,9-11H2,1-4H3/t12-,13-/m0/s1
InChIKeyVPYIBXONAYEZTD-STQMWFEESA-N
XLogP3.18
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(3,5-dimethylpiperidin-1-yl)methyl]-2-methoxyphenyl]methanamine
CID 84754831
5-[(3-amino-5-methylpiperidin-1-yl)methyl]-2-methoxybenzonitrile
CID 79986953
2-[1-[(3,4-dimethoxyphenyl)methyl]azetidin-3-yl]acetic acid
CID 64615889
1-[(3-bromo-4-methoxyphenyl)methyl]-3,4-dimethylpyrrolidine
CID 79037784
1-[(4-hydroperoxy-3-methoxyphenyl)methyl]-4-methylpiperidine
CID 143148512
(3R,5R)-N-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpiperidine-1-sulfonamide
CID 52529765
(2R,6R)-4-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2,6-dimethylmorpholine
CID 51924313
1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,5-dimethylpiperazine
CID 63862972
(2R,6R)-4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]-2,6-dimethylmorpholine
CID 756427
1-[(3-methoxy-4-methylphenyl)methyl]-3,5-dimethylpiperazine
CID 120839930
5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-2-methoxyphenol
CID 84594406
(3R,4R)-1-[(3,4-dimethoxyphenyl)methyl]-4-(hydroxymethyl)piperidin-3-ol
CID 155492053

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpiperidine?
The IUPAC name of (3S,5S)-1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpiperidine (CID 784275) is (3S,5S)-1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpiperidine.
What is the SMILES notation for (3S,5S)-1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpiperidine?
The canonical SMILES for (3S,5S)-1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpiperidine is COc1ccc(CN2C[C@@H](C)C[C@H](C)C2)cc1OC.
What is the InChIKey of (3S,5S)-1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpiperidine?
The InChIKey is VPYIBXONAYEZTD-STQMWFEESA-N. The full InChI is InChI=1S/C16H25NO2/c1-12-7-13(2)10-17(9-12)11-14-5-6-15(18-3)16(8-14)19-4/h5-6,8,12-13H,7,9-11H2,1-4H3/t12-,13-/m0/s1.
What are the key properties of (3S,5S)-1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpiperidine?
(3S,5S)-1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpiperidine has a molecular weight of 263.38 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpiperidine is sourced from PubChem (CID 784275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).