1-(2-methylpropyl)-4-[(1-propylpiperidin-4-yl)methoxy]piperidine

C18H36N2O — CID 167191940

IUPAC1-(2-methylpropyl)-4-[(1-propylpiperidin-4-yl)methoxy]piperidine
SMILESCCCN1CCC(COC2CCN(CC(C)C)CC2)CC1
InChIInChI=1S/C18H36N2O/c1-4-9-19-10-5-17(6-11-19)15-21-18-7-12-20(13-8-18)14-16(2)3/h16-18H,4-15H2,1-3H3
InChIKeyWSMCPYXWYKYTAF-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.25
Rot. Bonds7

About 1-(2-methylpropyl)-4-[(1-propylpiperidin-4-yl)methoxy]piperidine

1-(2-methylpropyl)-4-[(1-propylpiperidin-4-yl)methoxy]piperidine (PubChem CID 167191940) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 1-(2-methylpropyl)-4-[(1-propylpiperidin-4-yl)methoxy]piperidine.

Molecular Properties

Compound Name1-(2-methylpropyl)-4-[(1-propylpiperidin-4-yl)methoxy]piperidine
PubChem CID167191940
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name1-(2-methylpropyl)-4-[(1-propylpiperidin-4-yl)methoxy]piperidine
SMILESCCCN1CCC(COC2CCN(CC(C)C)CC2)CC1
InChIInChI=1S/C18H36N2O/c1-4-9-19-10-5-17(6-11-19)15-21-18-7-12-20(13-8-18)14-16(2)3/h16-18H,4-15H2,1-3H3
InChIKeyWSMCPYXWYKYTAF-UHFFFAOYSA-N
XLogP3.25
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-[[1-(2-methylpropyl)piperidin-4-yl]oxymethyl]piperidine;propane
CID 163400134
1-methyl-4-[(1-propylpiperidin-4-yl)oxymethyl]piperidine
CID 155750999
1-(2-methylbutyl)-4-[[1-(2-methylpropyl)piperidin-4-yl]oxymethyl]piperidine
CID 163400543
1-butyl-4-(cyclobutyloxymethyl)piperidine;molecular hydrogen;propan-2-amine
CID 155750753
4-(2-bromoethoxy)-1-propylpiperidine
CID 82691689
ethane;4-propoxy-1-propylpiperidine
CID 156867917
3-(cyclopropylmethoxy)-1-(2-methylpropyl)azetidine
CID 174892843
1,3-bis[4-(cyclopentylmethoxy)piperidin-1-yl]propan-2-ol
CID 166234408
N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]propan-1-amine
CID 62593266
4-[2-(1-methylazetidin-3-yl)oxyethoxy]-1-propylpiperidine
CID 156885066
4-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-(2-methylpropyl)piperidine
CID 166035331
1-propyl-4-[(1-propylpiperidin-4-yl)methyl]piperidine
CID 172611487

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-4-[(1-propylpiperidin-4-yl)methoxy]piperidine?
The IUPAC name of 1-(2-methylpropyl)-4-[(1-propylpiperidin-4-yl)methoxy]piperidine (CID 167191940) is 1-(2-methylpropyl)-4-[(1-propylpiperidin-4-yl)methoxy]piperidine.
What is the SMILES notation for 1-(2-methylpropyl)-4-[(1-propylpiperidin-4-yl)methoxy]piperidine?
The canonical SMILES for 1-(2-methylpropyl)-4-[(1-propylpiperidin-4-yl)methoxy]piperidine is CCCN1CCC(COC2CCN(CC(C)C)CC2)CC1.
What is the InChIKey of 1-(2-methylpropyl)-4-[(1-propylpiperidin-4-yl)methoxy]piperidine?
The InChIKey is WSMCPYXWYKYTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-4-9-19-10-5-17(6-11-19)15-21-18-7-12-20(13-8-18)14-16(2)3/h16-18H,4-15H2,1-3H3.
What are the key properties of 1-(2-methylpropyl)-4-[(1-propylpiperidin-4-yl)methoxy]piperidine?
1-(2-methylpropyl)-4-[(1-propylpiperidin-4-yl)methoxy]piperidine has a molecular weight of 296.50 g/mol, XLogP of 3.25, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-4-[(1-propylpiperidin-4-yl)methoxy]piperidine is sourced from PubChem (CID 167191940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).