1-methyl-4-[3-(piperidin-3-ylmethyl)phenoxy]piperidine

C18H28N2O — CID 117466208

IUPAC1-methyl-4-[3-(piperidin-3-ylmethyl)phenoxy]piperidine
SMILESCN1CCC(Oc2cccc(CC3CCCNC3)c2)CC1
InChIInChI=1S/C18H28N2O/c1-20-10-7-17(8-11-20)21-18-6-2-4-15(13-18)12-16-5-3-9-19-14-16/h2,4,6,13,16-17,19H,3,5,7-12,14H2,1H3
InChIKeyUPMUYTLMLJHOOO-UHFFFAOYSA-N
MW288.43 g/mol
LogP2.70
Rot. Bonds4

About 1-methyl-4-[3-(piperidin-3-ylmethyl)phenoxy]piperidine

1-methyl-4-[3-(piperidin-3-ylmethyl)phenoxy]piperidine (PubChem CID 117466208) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 1-methyl-4-[3-(piperidin-3-ylmethyl)phenoxy]piperidine.

Molecular Properties

Compound Name1-methyl-4-[3-(piperidin-3-ylmethyl)phenoxy]piperidine
PubChem CID117466208
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name1-methyl-4-[3-(piperidin-3-ylmethyl)phenoxy]piperidine
SMILESCN1CCC(Oc2cccc(CC3CCCNC3)c2)CC1
InChIInChI=1S/C18H28N2O/c1-20-10-7-17(8-11-20)21-18-6-2-4-15(13-18)12-16-5-3-9-19-14-16/h2,4,6,13,16-17,19H,3,5,7-12,14H2,1H3
InChIKeyUPMUYTLMLJHOOO-UHFFFAOYSA-N
XLogP2.70
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-cyclopropyloxyphenyl)methyl]pyrrolidine
CID 84785505
1-methyl-4-[3-(piperidin-3-ylmethyl)phenyl]piperidine
CID 117434154
3-[[3-(thian-3-yloxy)phenyl]methyl]piperidine
CID 117470997
[3-(1-methylpiperidin-4-yl)oxyphenyl]methanamine;hydrochloride
CID 68965595
3-[(3-methylphenyl)methyl]piperidine
CID 17039519
(3S)-3-[(3-methylphenyl)methyl]piperidine
CID 39345685
3-[[3-(1,1-difluoroethyl)phenyl]methyl]piperidine
CID 84701353
3-(piperidin-3-ylmethyl)phenol
CID 57155980
3-[(3-propan-2-ylphenyl)methyl]piperidine
CID 84785652
3-[3-(2,2-dimethylpropyl)phenoxy]-1-methylpyrrolidine
CID 137435425
3-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]piperidine
CID 117467787
1-methyl-7-(piperidin-3-ylmethyl)-3,4-dihydro-2H-quinoline
CID 117363448

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-(piperidin-3-ylmethyl)phenoxy]piperidine?
The IUPAC name of 1-methyl-4-[3-(piperidin-3-ylmethyl)phenoxy]piperidine (CID 117466208) is 1-methyl-4-[3-(piperidin-3-ylmethyl)phenoxy]piperidine.
What is the SMILES notation for 1-methyl-4-[3-(piperidin-3-ylmethyl)phenoxy]piperidine?
The canonical SMILES for 1-methyl-4-[3-(piperidin-3-ylmethyl)phenoxy]piperidine is CN1CCC(Oc2cccc(CC3CCCNC3)c2)CC1.
What is the InChIKey of 1-methyl-4-[3-(piperidin-3-ylmethyl)phenoxy]piperidine?
The InChIKey is UPMUYTLMLJHOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-20-10-7-17(8-11-20)21-18-6-2-4-15(13-18)12-16-5-3-9-19-14-16/h2,4,6,13,16-17,19H,3,5,7-12,14H2,1H3.
What are the key properties of 1-methyl-4-[3-(piperidin-3-ylmethyl)phenoxy]piperidine?
1-methyl-4-[3-(piperidin-3-ylmethyl)phenoxy]piperidine has a molecular weight of 288.43 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-(piperidin-3-ylmethyl)phenoxy]piperidine is sourced from PubChem (CID 117466208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).