(3R)-1-[(2,4-dimethoxyphenyl)methyl]-3-propoxypiperidine

C17H27NO3 — CID 99955836

IUPAC(3R)-1-[(2,4-dimethoxyphenyl)methyl]-3-propoxypiperidine
SMILESCCCO[C@@H]1CCCN(Cc2ccc(OC)cc2OC)C1
InChIInChI=1S/C17H27NO3/c1-4-10-21-16-6-5-9-18(13-16)12-14-7-8-15(19-2)11-17(14)20-3/h7-8,11,16H,4-6,9-10,12-13H2,1-3H3/t16-/m1/s1
InChIKeyVCTSCSXIEMZWBB-MRXNPFEDSA-N
MW293.41 g/mol
LogP3.09
Rot. Bonds7

About (3R)-1-[(2,4-dimethoxyphenyl)methyl]-3-propoxypiperidine

(3R)-1-[(2,4-dimethoxyphenyl)methyl]-3-propoxypiperidine (PubChem CID 99955836) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is (3R)-1-[(2,4-dimethoxyphenyl)methyl]-3-propoxypiperidine.

Molecular Properties

Compound Name(3R)-1-[(2,4-dimethoxyphenyl)methyl]-3-propoxypiperidine
PubChem CID99955836
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name(3R)-1-[(2,4-dimethoxyphenyl)methyl]-3-propoxypiperidine
SMILESCCCO[C@@H]1CCCN(Cc2ccc(OC)cc2OC)C1
InChIInChI=1S/C17H27NO3/c1-4-10-21-16-6-5-9-18(13-16)12-14-7-8-15(19-2)11-17(14)20-3/h7-8,11,16H,4-6,9-10,12-13H2,1-3H3/t16-/m1/s1
InChIKeyVCTSCSXIEMZWBB-MRXNPFEDSA-N
XLogP3.09
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-2-[(3-propoxypiperidin-1-yl)methyl]aniline
CID 115413955
(3S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-ol
CID 754063
1-[(2,4-dimethoxyphenyl)methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 75493797
4-fluoro-2-[(3-propoxypiperidin-1-yl)methyl]phenol
CID 103947572
4-fluoro-2-[(3-propoxypiperidin-1-yl)methyl]aniline
CID 54985711
ethyl (3S)-1-[(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxylate
CID 1377071
3-(4-methoxyphenyl)-5-[[(3S)-3-propoxypiperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 42383127
1-[(2,4-dimethoxyphenyl)methyl]-3-ethylpiperidin-4-amine
CID 81457163
1-[(2,4-dimethoxyphenyl)methyl]-N-ethylpyrrolidin-3-amine
CID 63362955
1-[3-bromo-4-[(3-propoxypiperidin-1-yl)methyl]phenyl]-N-methylmethanamine
CID 102768549
N-[[1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methyl]ethanamine
CID 63363167
2-methoxy-5-[(3-propoxypiperidin-1-yl)methyl]pyridine
CID 77092772

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2,4-dimethoxyphenyl)methyl]-3-propoxypiperidine?
The IUPAC name of (3R)-1-[(2,4-dimethoxyphenyl)methyl]-3-propoxypiperidine (CID 99955836) is (3R)-1-[(2,4-dimethoxyphenyl)methyl]-3-propoxypiperidine.
What is the SMILES notation for (3R)-1-[(2,4-dimethoxyphenyl)methyl]-3-propoxypiperidine?
The canonical SMILES for (3R)-1-[(2,4-dimethoxyphenyl)methyl]-3-propoxypiperidine is CCCO[C@@H]1CCCN(Cc2ccc(OC)cc2OC)C1.
What is the InChIKey of (3R)-1-[(2,4-dimethoxyphenyl)methyl]-3-propoxypiperidine?
The InChIKey is VCTSCSXIEMZWBB-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H27NO3/c1-4-10-21-16-6-5-9-18(13-16)12-14-7-8-15(19-2)11-17(14)20-3/h7-8,11,16H,4-6,9-10,12-13H2,1-3H3/t16-/m1/s1.
What are the key properties of (3R)-1-[(2,4-dimethoxyphenyl)methyl]-3-propoxypiperidine?
(3R)-1-[(2,4-dimethoxyphenyl)methyl]-3-propoxypiperidine has a molecular weight of 293.41 g/mol, XLogP of 3.09, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2,4-dimethoxyphenyl)methyl]-3-propoxypiperidine is sourced from PubChem (CID 99955836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).