4-[(2,5-dimethoxy-4-propylphenyl)methyl]piperidine

C17H27NO2 — CID 117444876

IUPAC4-[(2,5-dimethoxy-4-propylphenyl)methyl]piperidine
SMILESCCCc1cc(OC)c(CC2CCNCC2)cc1OC
InChIInChI=1S/C17H27NO2/c1-4-5-14-11-17(20-3)15(12-16(14)19-2)10-13-6-8-18-9-7-13/h11-13,18H,4-10H2,1-3H3
InChIKeyNRQRJLXZCXIJGN-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.20
Rot. Bonds6

About 4-[(2,5-dimethoxy-4-propylphenyl)methyl]piperidine

4-[(2,5-dimethoxy-4-propylphenyl)methyl]piperidine (PubChem CID 117444876) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-[(2,5-dimethoxy-4-propylphenyl)methyl]piperidine.

Molecular Properties

Compound Name4-[(2,5-dimethoxy-4-propylphenyl)methyl]piperidine
PubChem CID117444876
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name4-[(2,5-dimethoxy-4-propylphenyl)methyl]piperidine
SMILESCCCc1cc(OC)c(CC2CCNCC2)cc1OC
InChIInChI=1S/C17H27NO2/c1-4-5-14-11-17(20-3)15(12-16(14)19-2)10-13-6-8-18-9-7-13/h11-13,18H,4-10H2,1-3H3
InChIKeyNRQRJLXZCXIJGN-UHFFFAOYSA-N
XLogP3.20
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-ethyl-2-methoxy-5-methylsulfanylphenyl)methyl]piperidine
CID 117448534
4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
CID 117386379
4-[(5-fluoro-2-methoxy-4-methylphenyl)methyl]piperidine
CID 84798681
4-[(5-chloro-2-methoxy-4-methylphenyl)methyl]piperidine
CID 82298661
4-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
CID 117413201
4-[(4-chloro-2-methoxyphenyl)methyl]piperidine
CID 84800099
4-[[5-(2-fluoropropan-2-yl)-2,4-dimethoxyphenyl]methyl]piperidine
CID 117476126
4-[(5-fluoro-2,3-dimethoxyphenyl)methyl]piperidine
CID 117386378
4-[(2,3-dimethoxy-5-methylphenyl)methyl]piperidine
CID 117377234
5-fluoro-2-methoxy-4-(piperidin-4-ylmethyl)phenol
CID 84799660
3,4-dimethoxy-5-(piperidin-4-ylmethyl)phenol
CID 117381520
methyl 2-hydroxy-4-methoxy-5-(piperidin-4-ylmethyl)benzoate
CID 117447967

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethoxy-4-propylphenyl)methyl]piperidine?
The IUPAC name of 4-[(2,5-dimethoxy-4-propylphenyl)methyl]piperidine (CID 117444876) is 4-[(2,5-dimethoxy-4-propylphenyl)methyl]piperidine.
What is the SMILES notation for 4-[(2,5-dimethoxy-4-propylphenyl)methyl]piperidine?
The canonical SMILES for 4-[(2,5-dimethoxy-4-propylphenyl)methyl]piperidine is CCCc1cc(OC)c(CC2CCNCC2)cc1OC.
What is the InChIKey of 4-[(2,5-dimethoxy-4-propylphenyl)methyl]piperidine?
The InChIKey is NRQRJLXZCXIJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-4-5-14-11-17(20-3)15(12-16(14)19-2)10-13-6-8-18-9-7-13/h11-13,18H,4-10H2,1-3H3.
What are the key properties of 4-[(2,5-dimethoxy-4-propylphenyl)methyl]piperidine?
4-[(2,5-dimethoxy-4-propylphenyl)methyl]piperidine has a molecular weight of 277.41 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethoxy-4-propylphenyl)methyl]piperidine is sourced from PubChem (CID 117444876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).