2-methyl-1-[4-[[4-(propan-2-yloxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]propan-1-one

C19H36N2O2 — CID 165372802

IUPAC2-methyl-1-[4-[[4-(propan-2-yloxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]propan-1-one
SMILESCC(C)OCC1CCN(CC2CCN(C(=O)C(C)C)CC2)CC1
InChIInChI=1S/C19H36N2O2/c1-15(2)19(22)21-11-7-17(8-12-21)13-20-9-5-18(6-10-20)14-23-16(3)4/h15-18H,5-14H2,1-4H3
InChIKeyBNDVTRPETOZCQO-UHFFFAOYSA-N
MW324.51 g/mol
LogP3.02
Rot. Bonds6

About 2-methyl-1-[4-[[4-(propan-2-yloxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]propan-1-one

2-methyl-1-[4-[[4-(propan-2-yloxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]propan-1-one (PubChem CID 165372802) has the molecular formula C19H36N2O2 and a molecular weight of 324.51 g/mol. Its IUPAC name is 2-methyl-1-[4-[[4-(propan-2-yloxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-[[4-(propan-2-yloxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]propan-1-one
PubChem CID165372802
Molecular FormulaC19H36N2O2
Molecular Weight324.51 g/mol
Exact Mass324.28
IUPAC Name2-methyl-1-[4-[[4-(propan-2-yloxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]propan-1-one
SMILESCC(C)OCC1CCN(CC2CCN(C(=O)C(C)C)CC2)CC1
InChIInChI=1S/C19H36N2O2/c1-15(2)19(22)21-11-7-17(8-12-21)13-20-9-5-18(6-10-20)14-23-16(3)4/h15-18H,5-14H2,1-4H3
InChIKeyBNDVTRPETOZCQO-UHFFFAOYSA-N
XLogP3.02
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methyl-1-[4-[[4-(propan-2-yloxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

2-methyl-1-[4-[(4-propylpiperidin-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 166113429
1-[4-(propan-2-yloxymethyl)piperidin-1-yl]ethanone
CID 147601847
ethane;1-[4-[(4-ethoxy-3-fluoropiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one
CID 156707654
1-[4-(aminomethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 42562155
2-methyl-1-[4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperazin-1-yl]propan-1-one
CID 170613851
3-amino-2-methyl-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 62668546
1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 121200732
1-[4-[(3-aminocyclobutyl)methyl]piperazin-1-yl]-2-methylpropan-1-one
CID 172604246
2-amino-3-methyl-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-one;dihydrochloride
CID 119851877
tert-butyl 4-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]piperidine-1-carboxylate
CID 111113950
2-methyl-3-(methylamino)-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 79201986
1,4-bis(propan-2-yloxymethyl)cyclohexane
CID 18739268

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-[[4-(propan-2-yloxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-[[4-(propan-2-yloxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]propan-1-one (CID 165372802) is 2-methyl-1-[4-[[4-(propan-2-yloxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-[[4-(propan-2-yloxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-[[4-(propan-2-yloxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]propan-1-one is CC(C)OCC1CCN(CC2CCN(C(=O)C(C)C)CC2)CC1.
What is the InChIKey of 2-methyl-1-[4-[[4-(propan-2-yloxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]propan-1-one?
The InChIKey is BNDVTRPETOZCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O2/c1-15(2)19(22)21-11-7-17(8-12-21)13-20-9-5-18(6-10-20)14-23-16(3)4/h15-18H,5-14H2,1-4H3.
What are the key properties of 2-methyl-1-[4-[[4-(propan-2-yloxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]propan-1-one?
2-methyl-1-[4-[[4-(propan-2-yloxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]propan-1-one has a molecular weight of 324.51 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-[[4-(propan-2-yloxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 165372802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).