1-[4-methoxy-2-(piperidin-3-ylmethyl)phenyl]piperidine

C18H28N2O — CID 117466204

IUPAC1-[4-methoxy-2-(piperidin-3-ylmethyl)phenyl]piperidine
SMILESCOc1ccc(N2CCCCC2)c(CC2CCCNC2)c1
InChIInChI=1S/C18H28N2O/c1-21-17-7-8-18(20-10-3-2-4-11-20)16(13-17)12-15-6-5-9-19-14-15/h7-8,13,15,19H,2-6,9-12,14H2,1H3
InChIKeyMGIZDQPHAICRSR-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.23
Rot. Bonds4

About 1-[4-methoxy-2-(piperidin-3-ylmethyl)phenyl]piperidine

1-[4-methoxy-2-(piperidin-3-ylmethyl)phenyl]piperidine (PubChem CID 117466204) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-[4-methoxy-2-(piperidin-3-ylmethyl)phenyl]piperidine.

Molecular Properties

Compound Name1-[4-methoxy-2-(piperidin-3-ylmethyl)phenyl]piperidine
PubChem CID117466204
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name1-[4-methoxy-2-(piperidin-3-ylmethyl)phenyl]piperidine
SMILESCOc1ccc(N2CCCCC2)c(CC2CCCNC2)c1
InChIInChI=1S/C18H28N2O/c1-21-17-7-8-18(20-10-3-2-4-11-20)16(13-17)12-15-6-5-9-19-14-15/h7-8,13,15,19H,2-6,9-12,14H2,1H3
InChIKeyMGIZDQPHAICRSR-UHFFFAOYSA-N
XLogP3.23
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-[(5-methoxy-2-methylphenyl)methyl]piperidine
CID 84786963
1-[4-methoxy-2-(pyrrolidin-2-ylmethyl)phenyl]pyrrolidine
CID 117405725
3-[(3,5-dimethoxy-2-methylphenyl)methyl]piperidine
CID 117377185
2-(5-methoxy-2-piperidin-1-ylphenyl)ethanol
CID 117343468
5-methoxy-2-(pyrrolidin-3-ylmethyl)aniline
CID 105459503
3-[(3-tert-butyl-2,5-dimethoxyphenyl)methyl]piperidine
CID 117470959
3-[(2-methoxyphenyl)methyl]piperidine
CID 5005916
6-methoxy-2-(piperidin-3-ylmethyl)imidazo[1,2-a]pyridine
CID 117130028
7-methoxy-3-(piperidin-3-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride
CID 120847784
1-(5-methoxy-2-piperidin-1-ylphenyl)propan-2-amine
CID 117374676
3-[(7-methoxynaphthalen-1-yl)methyl]pyrrolidine
CID 19096229
3-[(4-fluoro-2-methoxyphenyl)methyl]piperidine
CID 84789117

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-2-(piperidin-3-ylmethyl)phenyl]piperidine?
The IUPAC name of 1-[4-methoxy-2-(piperidin-3-ylmethyl)phenyl]piperidine (CID 117466204) is 1-[4-methoxy-2-(piperidin-3-ylmethyl)phenyl]piperidine.
What is the SMILES notation for 1-[4-methoxy-2-(piperidin-3-ylmethyl)phenyl]piperidine?
The canonical SMILES for 1-[4-methoxy-2-(piperidin-3-ylmethyl)phenyl]piperidine is COc1ccc(N2CCCCC2)c(CC2CCCNC2)c1.
What is the InChIKey of 1-[4-methoxy-2-(piperidin-3-ylmethyl)phenyl]piperidine?
The InChIKey is MGIZDQPHAICRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-21-17-7-8-18(20-10-3-2-4-11-20)16(13-17)12-15-6-5-9-19-14-15/h7-8,13,15,19H,2-6,9-12,14H2,1H3.
What are the key properties of 1-[4-methoxy-2-(piperidin-3-ylmethyl)phenyl]piperidine?
1-[4-methoxy-2-(piperidin-3-ylmethyl)phenyl]piperidine has a molecular weight of 288.44 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-2-(piperidin-3-ylmethyl)phenyl]piperidine is sourced from PubChem (CID 117466204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).