1-methyl-3-(4-piperidin-3-ylphenoxy)piperidine

C17H26N2O — CID 117438888

IUPAC1-methyl-3-(4-piperidin-3-ylphenoxy)piperidine
SMILESCN1CCCC(Oc2ccc(C3CCCNC3)cc2)C1
InChIInChI=1S/C17H26N2O/c1-19-11-3-5-17(13-19)20-16-8-6-14(7-9-16)15-4-2-10-18-12-15/h6-9,15,17-18H,2-5,10-13H2,1H3
InChIKeyLVBWJPCVCVCDMF-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.63
Rot. Bonds3

About 1-methyl-3-(4-piperidin-3-ylphenoxy)piperidine

1-methyl-3-(4-piperidin-3-ylphenoxy)piperidine (PubChem CID 117438888) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-methyl-3-(4-piperidin-3-ylphenoxy)piperidine.

Molecular Properties

Compound Name1-methyl-3-(4-piperidin-3-ylphenoxy)piperidine
PubChem CID117438888
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-methyl-3-(4-piperidin-3-ylphenoxy)piperidine
SMILESCN1CCCC(Oc2ccc(C3CCCNC3)cc2)C1
InChIInChI=1S/C17H26N2O/c1-19-11-3-5-17(13-19)20-16-8-6-14(7-9-16)15-4-2-10-18-12-15/h6-9,15,17-18H,2-5,10-13H2,1H3
InChIKeyLVBWJPCVCVCDMF-UHFFFAOYSA-N
XLogP2.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-{[4-(1,1-Dimethylethyl)phenyl]oxy}hexyl)piperazine
CID 410637
S1R agonist 1
CID 1328600
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CID 45483527
(R/S)-2-((4-benzylphenoxy)methyl)piperidine
CID 46888070
(R)-2-((4-benzylphenoxy)methyl)piperidine
CID 46888101
4-[(4-Fluoro-phenoxy)-phenyl-methyl]-piperidine
CID 9795842
4-[(3-Fluoro-phenoxy)-phenyl-methyl]-piperidine
CID 9817317
4-[(4-Fluoro-phenoxy)-(4-fluoro-phenyl)-methyl]-piperidine
CID 9817902
3-(Phenyl-piperidin-4-yl-methoxy)-benzonitrile
CID 9904147
1-[3-[4-[4-(3-Piperidin-1-ylpropoxy)phenyl]phenoxy]propyl]piperidine
CID 11949667
4-[4-[4-(3-Piperidin-1-ylpropoxy)phenyl]cyclohexyl]morpholine
CID 11977494
N,N-dimethyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-amine
CID 11978858

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-piperidin-3-ylphenoxy)piperidine?
The IUPAC name of 1-methyl-3-(4-piperidin-3-ylphenoxy)piperidine (CID 117438888) is 1-methyl-3-(4-piperidin-3-ylphenoxy)piperidine.
What is the SMILES notation for 1-methyl-3-(4-piperidin-3-ylphenoxy)piperidine?
The canonical SMILES for 1-methyl-3-(4-piperidin-3-ylphenoxy)piperidine is CN1CCCC(Oc2ccc(C3CCCNC3)cc2)C1.
What is the InChIKey of 1-methyl-3-(4-piperidin-3-ylphenoxy)piperidine?
The InChIKey is LVBWJPCVCVCDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-19-11-3-5-17(13-19)20-16-8-6-14(7-9-16)15-4-2-10-18-12-15/h6-9,15,17-18H,2-5,10-13H2,1H3.
What are the key properties of 1-methyl-3-(4-piperidin-3-ylphenoxy)piperidine?
1-methyl-3-(4-piperidin-3-ylphenoxy)piperidine has a molecular weight of 274.41 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-piperidin-3-ylphenoxy)piperidine is sourced from PubChem (CID 117438888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).