3-[4-(methoxymethyl)piperidin-1-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine

C15H32N2O — CID 63979502

IUPAC3-[4-(methoxymethyl)piperidin-1-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine
SMILESCOCC1CCN(CC(C)CNCC(C)C)CC1
InChIInChI=1S/C15H32N2O/c1-13(2)9-16-10-14(3)11-17-7-5-15(6-8-17)12-18-4/h13-16H,5-12H2,1-4H3
InChIKeyHEQITSLERCTFRH-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.23
Rot. Bonds8

About 3-[4-(methoxymethyl)piperidin-1-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine

3-[4-(methoxymethyl)piperidin-1-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine (PubChem CID 63979502) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 3-[4-(methoxymethyl)piperidin-1-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine.

Molecular Properties

Compound Name3-[4-(methoxymethyl)piperidin-1-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine
PubChem CID63979502
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name3-[4-(methoxymethyl)piperidin-1-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine
SMILESCOCC1CCN(CC(C)CNCC(C)C)CC1
InChIInChI=1S/C15H32N2O/c1-13(2)9-16-10-14(3)11-17-7-5-15(6-8-17)12-18-4/h13-16H,5-12H2,1-4H3
InChIKeyHEQITSLERCTFRH-UHFFFAOYSA-N
XLogP2.23
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 64582008
1-[3-(methoxymethyl)pyrrolidin-1-yl]-3-(2-methylpropylamino)propan-2-ol
CID 113317616
4-[4-(methoxymethyl)piperidin-1-yl]-3-methylbutan-1-amine
CID 80544205
2-methyl-N-[[1-(2-methylpentyl)piperidin-4-yl]methyl]propan-1-amine
CID 62592590
N-[3-[3-(methoxymethyl)pyrrolidin-1-yl]propyl]-2-methylpropan-1-amine
CID 64570291
2-methyl-3-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)propan-1-amine
CID 62438498
(3S)-3-(methoxymethyl)-1-(2-methylpropyl)pyrrolidine
CID 89358409
1-(ethylamino)-3-[4-(methoxymethyl)piperidin-1-yl]propan-2-ol
CID 63972481
1-methoxy-3-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]propan-2-ol
CID 63929279
3-[4-(methoxymethyl)piperidin-1-yl]-2-(methylamino)propan-1-ol
CID 64790398
1-[4-(methoxymethyl)piperidin-1-yl]-N,3,3-trimethylbutan-2-amine
CID 63973269
3-methyl-1-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]butan-2-ol
CID 114249996

Frequently Asked Questions

What is the IUPAC name of 3-[4-(methoxymethyl)piperidin-1-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine?
The IUPAC name of 3-[4-(methoxymethyl)piperidin-1-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine (CID 63979502) is 3-[4-(methoxymethyl)piperidin-1-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine.
What is the SMILES notation for 3-[4-(methoxymethyl)piperidin-1-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine?
The canonical SMILES for 3-[4-(methoxymethyl)piperidin-1-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine is COCC1CCN(CC(C)CNCC(C)C)CC1.
What is the InChIKey of 3-[4-(methoxymethyl)piperidin-1-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine?
The InChIKey is HEQITSLERCTFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-13(2)9-16-10-14(3)11-17-7-5-15(6-8-17)12-18-4/h13-16H,5-12H2,1-4H3.
What are the key properties of 3-[4-(methoxymethyl)piperidin-1-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine?
3-[4-(methoxymethyl)piperidin-1-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine has a molecular weight of 256.43 g/mol, XLogP of 2.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(methoxymethyl)piperidin-1-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine is sourced from PubChem (CID 63979502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).