1-methyl-4-[[1-(2-methylpropyl)piperidin-4-yl]oxymethyl]piperidine;propane

C19H40N2O — CID 163400134

IUPAC1-methyl-4-[[1-(2-methylpropyl)piperidin-4-yl]oxymethyl]piperidine;propane
SMILESCC(C)CN1CCC(OCC2CCN(C)CC2)CC1.CCC
InChIInChI=1S/C16H32N2O.C3H8/c1-14(2)12-18-10-6-16(7-11-18)19-13-15-4-8-17(3)9-5-15;1-3-2/h14-16H,4-13H2,1-3H3;3H2,1-2H3
InChIKeyHHXJGKWHJPMZEJ-UHFFFAOYSA-N
MW312.54 g/mol
LogP3.88
Rot. Bonds5

About 1-methyl-4-[[1-(2-methylpropyl)piperidin-4-yl]oxymethyl]piperidine;propane

1-methyl-4-[[1-(2-methylpropyl)piperidin-4-yl]oxymethyl]piperidine;propane (PubChem CID 163400134) has the molecular formula C19H40N2O and a molecular weight of 312.54 g/mol. Its IUPAC name is 1-methyl-4-[[1-(2-methylpropyl)piperidin-4-yl]oxymethyl]piperidine;propane.

Molecular Properties

Compound Name1-methyl-4-[[1-(2-methylpropyl)piperidin-4-yl]oxymethyl]piperidine;propane
PubChem CID163400134
Molecular FormulaC19H40N2O
Molecular Weight312.54 g/mol
Exact Mass312.31
IUPAC Name1-methyl-4-[[1-(2-methylpropyl)piperidin-4-yl]oxymethyl]piperidine;propane
SMILESCC(C)CN1CCC(OCC2CCN(C)CC2)CC1.CCC
InChIInChI=1S/C16H32N2O.C3H8/c1-14(2)12-18-10-6-16(7-11-18)19-13-15-4-8-17(3)9-5-15;1-3-2/h14-16H,4-13H2,1-3H3;3H2,1-2H3
InChIKeyHHXJGKWHJPMZEJ-UHFFFAOYSA-N
XLogP3.88
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.54
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylpropyl)-4-[(1-propylpiperidin-4-yl)methoxy]piperidine
CID 167191940
1-(2-methylbutyl)-4-[[1-(2-methylpropyl)piperidin-4-yl]oxymethyl]piperidine
CID 163400543
1-methyl-4-[(1-propylpiperidin-4-yl)oxymethyl]piperidine
CID 155750999
3-(cyclopropylmethoxy)-1-(2-methylpropyl)azetidine
CID 174892843
3-methyl-1-[4-[(1-methylpyrrolidin-3-yl)methoxy]piperidin-1-yl]butan-2-one
CID 171800014
1-[3-(1-methylpiperidin-4-yl)propyl]-4-(2-methylpropyl)piperazine
CID 156885357
1,3-bis[4-(cyclopentylmethoxy)piperidin-1-yl]propan-2-ol
CID 166234408
4-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-(2-methylpropyl)piperidine
CID 166035331
1-butyl-4-(cyclobutyloxymethyl)piperidine;molecular hydrogen;propan-2-amine
CID 155750753
[1-(2-methylpropyl)piperidin-4-yl]methyl 3-methylbutanoate
CID 176612204
1-methyl-4-(2-methylpropyl)piperazine
CID 20562082
(3S)-3-(methoxymethyl)-1-(2-methylpropyl)pyrrolidine
CID 89358409

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[1-(2-methylpropyl)piperidin-4-yl]oxymethyl]piperidine;propane?
The IUPAC name of 1-methyl-4-[[1-(2-methylpropyl)piperidin-4-yl]oxymethyl]piperidine;propane (CID 163400134) is 1-methyl-4-[[1-(2-methylpropyl)piperidin-4-yl]oxymethyl]piperidine;propane.
What is the SMILES notation for 1-methyl-4-[[1-(2-methylpropyl)piperidin-4-yl]oxymethyl]piperidine;propane?
The canonical SMILES for 1-methyl-4-[[1-(2-methylpropyl)piperidin-4-yl]oxymethyl]piperidine;propane is CC(C)CN1CCC(OCC2CCN(C)CC2)CC1.CCC.
What is the InChIKey of 1-methyl-4-[[1-(2-methylpropyl)piperidin-4-yl]oxymethyl]piperidine;propane?
The InChIKey is HHXJGKWHJPMZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O.C3H8/c1-14(2)12-18-10-6-16(7-11-18)19-13-15-4-8-17(3)9-5-15;1-3-2/h14-16H,4-13H2,1-3H3;3H2,1-2H3.
What are the key properties of 1-methyl-4-[[1-(2-methylpropyl)piperidin-4-yl]oxymethyl]piperidine;propane?
1-methyl-4-[[1-(2-methylpropyl)piperidin-4-yl]oxymethyl]piperidine;propane has a molecular weight of 312.54 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[1-(2-methylpropyl)piperidin-4-yl]oxymethyl]piperidine;propane is sourced from PubChem (CID 163400134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).