1-[(1S)-1-(3,4-dimethoxyphenyl)propyl]piperidine

C16H25NO2 — CID 92967700

IUPAC1-[(1S)-1-(3,4-dimethoxyphenyl)propyl]piperidine
SMILESCC[C@@H](c1ccc(OC)c(OC)c1)N1CCCCC1
InChIInChI=1S/C16H25NO2/c1-4-14(17-10-6-5-7-11-17)13-8-9-15(18-2)16(12-13)19-3/h8-9,12,14H,4-7,10-11H2,1-3H3/t14-/m0/s1
InChIKeyQXBUZKWCIFTKJN-AWEZNQCLSA-N
MW263.38 g/mol
LogP3.64
Rot. Bonds5

About 1-[(1S)-1-(3,4-dimethoxyphenyl)propyl]piperidine

1-[(1S)-1-(3,4-dimethoxyphenyl)propyl]piperidine (PubChem CID 92967700) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[(1S)-1-(3,4-dimethoxyphenyl)propyl]piperidine.

Molecular Properties

Compound Name1-[(1S)-1-(3,4-dimethoxyphenyl)propyl]piperidine
PubChem CID92967700
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-[(1S)-1-(3,4-dimethoxyphenyl)propyl]piperidine
SMILESCC[C@@H](c1ccc(OC)c(OC)c1)N1CCCCC1
InChIInChI=1S/C16H25NO2/c1-4-14(17-10-6-5-7-11-17)13-8-9-15(18-2)16(12-13)19-3/h8-9,12,14H,4-7,10-11H2,1-3H3/t14-/m0/s1
InChIKeyQXBUZKWCIFTKJN-AWEZNQCLSA-N
XLogP3.64
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(azepan-1-yl)-2-(3,4-dimethoxyphenyl)ethanamine
CID 9161144
1-[(1S)-1-(3,4-dimethoxyphenyl)propyl]piperazine;dihydrochloride
CID 171273417
N-[2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]heptan-1-amine
CID 110826980
1-[1-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]piperazine
CID 83978283
N-[[2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]sulfamoyl]propan-1-amine
CID 110622738
2-(3,4-dimethoxyphenyl)-N-(ethylsulfamoyl)-2-pyrrolidin-1-ylethanamine
CID 110622752
N-[(4-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethanamine
CID 110826529
2-(3-chloro-4-methoxyphenyl)-2-piperidin-1-ylethanol
CID 116860097
1-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]piperazine
CID 28798806
N-[2-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methylbutanamide
CID 112505175
1-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]piperazine;dihydrochloride
CID 171282575
[2-methoxy-4-[(1R)-1-piperazin-1-ylpropyl]phenyl] acetate
CID 171293547

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(3,4-dimethoxyphenyl)propyl]piperidine?
The IUPAC name of 1-[(1S)-1-(3,4-dimethoxyphenyl)propyl]piperidine (CID 92967700) is 1-[(1S)-1-(3,4-dimethoxyphenyl)propyl]piperidine.
What is the SMILES notation for 1-[(1S)-1-(3,4-dimethoxyphenyl)propyl]piperidine?
The canonical SMILES for 1-[(1S)-1-(3,4-dimethoxyphenyl)propyl]piperidine is CC[C@@H](c1ccc(OC)c(OC)c1)N1CCCCC1.
What is the InChIKey of 1-[(1S)-1-(3,4-dimethoxyphenyl)propyl]piperidine?
The InChIKey is QXBUZKWCIFTKJN-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-14(17-10-6-5-7-11-17)13-8-9-15(18-2)16(12-13)19-3/h8-9,12,14H,4-7,10-11H2,1-3H3/t14-/m0/s1.
What are the key properties of 1-[(1S)-1-(3,4-dimethoxyphenyl)propyl]piperidine?
1-[(1S)-1-(3,4-dimethoxyphenyl)propyl]piperidine has a molecular weight of 263.38 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(3,4-dimethoxyphenyl)propyl]piperidine is sourced from PubChem (CID 92967700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).