1-[4-(methoxymethyl)piperidin-1-yl]-3,3-dimethyl-N-propylbutan-2-amine

C16H34N2O — CID 63973458

IUPAC1-[4-(methoxymethyl)piperidin-1-yl]-3,3-dimethyl-N-propylbutan-2-amine
SMILESCCCNC(CN1CCC(COC)CC1)C(C)(C)C
InChIInChI=1S/C16H34N2O/c1-6-9-17-15(16(2,3)4)12-18-10-7-14(8-11-18)13-19-5/h14-15,17H,6-13H2,1-5H3
InChIKeyFMOZKLOEIBRFMG-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.76
Rot. Bonds7

About 1-[4-(methoxymethyl)piperidin-1-yl]-3,3-dimethyl-N-propylbutan-2-amine

1-[4-(methoxymethyl)piperidin-1-yl]-3,3-dimethyl-N-propylbutan-2-amine (PubChem CID 63973458) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 1-[4-(methoxymethyl)piperidin-1-yl]-3,3-dimethyl-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-[4-(methoxymethyl)piperidin-1-yl]-3,3-dimethyl-N-propylbutan-2-amine
PubChem CID63973458
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name1-[4-(methoxymethyl)piperidin-1-yl]-3,3-dimethyl-N-propylbutan-2-amine
SMILESCCCNC(CN1CCC(COC)CC1)C(C)(C)C
InChIInChI=1S/C16H34N2O/c1-6-9-17-15(16(2,3)4)12-18-10-7-14(8-11-18)13-19-5/h14-15,17H,6-13H2,1-5H3
InChIKeyFMOZKLOEIBRFMG-UHFFFAOYSA-N
XLogP2.76
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(methoxymethyl)piperidin-1-yl]-N,3,3-trimethylbutan-2-amine
CID 63973269
1-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylpentan-2-amine
CID 64569510
N-[1-cyclopentyl-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]propan-1-amine
CID 104746508
1-methoxy-N-propyl-3-(4-propylpiperidin-1-yl)propan-2-amine
CID 107505652
methyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(propylamino)propanoate
CID 64583946
1-[3-(methoxymethyl)pyrrolidin-1-yl]-N,4,4-trimethylpentan-3-amine
CID 64583577
1-[3-(methoxymethyl)piperidin-1-yl]-N-propylpentan-2-amine
CID 106586522
N-ethyl-1-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-2-amine
CID 64569701
2-[1-[4,4-dimethyl-3-(propylamino)pentyl]pyrrolidin-3-yl]ethanol
CID 114800100
1-cyclohexyl-N-ethyl-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
CID 104746414
1-(ethylamino)-3-[4-(methoxymethyl)piperidin-1-yl]propan-2-ol
CID 63972481
N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]pentan-2-amine
CID 64582200

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxymethyl)piperidin-1-yl]-3,3-dimethyl-N-propylbutan-2-amine?
The IUPAC name of 1-[4-(methoxymethyl)piperidin-1-yl]-3,3-dimethyl-N-propylbutan-2-amine (CID 63973458) is 1-[4-(methoxymethyl)piperidin-1-yl]-3,3-dimethyl-N-propylbutan-2-amine.
What is the SMILES notation for 1-[4-(methoxymethyl)piperidin-1-yl]-3,3-dimethyl-N-propylbutan-2-amine?
The canonical SMILES for 1-[4-(methoxymethyl)piperidin-1-yl]-3,3-dimethyl-N-propylbutan-2-amine is CCCNC(CN1CCC(COC)CC1)C(C)(C)C.
What is the InChIKey of 1-[4-(methoxymethyl)piperidin-1-yl]-3,3-dimethyl-N-propylbutan-2-amine?
The InChIKey is FMOZKLOEIBRFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-6-9-17-15(16(2,3)4)12-18-10-7-14(8-11-18)13-19-5/h14-15,17H,6-13H2,1-5H3.
What are the key properties of 1-[4-(methoxymethyl)piperidin-1-yl]-3,3-dimethyl-N-propylbutan-2-amine?
1-[4-(methoxymethyl)piperidin-1-yl]-3,3-dimethyl-N-propylbutan-2-amine has a molecular weight of 270.46 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methoxymethyl)piperidin-1-yl]-3,3-dimethyl-N-propylbutan-2-amine is sourced from PubChem (CID 63973458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).