2-(3-methoxy-4-methylpiperidin-1-yl)-2-methyl-4-phenylbutan-1-amine

C18H30N2O — CID 102964881

IUPAC2-(3-methoxy-4-methylpiperidin-1-yl)-2-methyl-4-phenylbutan-1-amine
SMILESCOC1CN(C(C)(CN)CCc2ccccc2)CCC1C
InChIInChI=1S/C18H30N2O/c1-15-10-12-20(13-17(15)21-3)18(2,14-19)11-9-16-7-5-4-6-8-16/h4-8,15,17H,9-14,19H2,1-3H3
InChIKeyYISBMCYIWPBSGJ-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.69
Rot. Bonds6

About 2-(3-methoxy-4-methylpiperidin-1-yl)-2-methyl-4-phenylbutan-1-amine

2-(3-methoxy-4-methylpiperidin-1-yl)-2-methyl-4-phenylbutan-1-amine (PubChem CID 102964881) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-(3-methoxy-4-methylpiperidin-1-yl)-2-methyl-4-phenylbutan-1-amine.

Molecular Properties

Compound Name2-(3-methoxy-4-methylpiperidin-1-yl)-2-methyl-4-phenylbutan-1-amine
PubChem CID102964881
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-(3-methoxy-4-methylpiperidin-1-yl)-2-methyl-4-phenylbutan-1-amine
SMILESCOC1CN(C(C)(CN)CCc2ccccc2)CCC1C
InChIInChI=1S/C18H30N2O/c1-15-10-12-20(13-17(15)21-3)18(2,14-19)11-9-16-7-5-4-6-8-16/h4-8,15,17H,9-14,19H2,1-3H3
InChIKeyYISBMCYIWPBSGJ-UHFFFAOYSA-N
XLogP2.69
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Benzylpiperidin-1-yl)-3-(methylamino)propan-2-ol
CID 43167849
2,4-Dimethyl-9-(2-phenylethyl)-3-oxa-9-aza-6-azoniaspiro[5.5]undecane chloride
CID 23643977
2,4-Dimethyl-9-(3-phenylpropyl)-3-oxa-9-aza-6-azoniaspiro[5.5]undecane chloride
CID 24758613
US10233152, Example 124
CID 129279746
US10233152, Example 119
CID 129280525
Piperidine, 4-(alpha-(2-(diethylamino)ethoxy)phenethyl)-, dihydrochloride
CID 3024476
4-Piperidinamine, 1-(2-ethoxyethyl)-3-methyl-N-phenyl-, dihydrochloride, cis-
CID 3079966
4-Piperidinamine, 1-(2-ethoxyethyl)-3-methyl-N-phenyl-, dihydrochloride, trans-
CID 3079968
1-(Morpholin-4-yl)-3-phenylpropan-2-amine
CID 9857263
(alphaS)-alpha-(Phenylmethyl)-4-morpholineethanamine
CID 22689568
Morforex
CID 3047774
Cyclohexanamine, 4-phenyl-N-[2-(4-morpholyl)ethyl]-
CID 567890

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-methylpiperidin-1-yl)-2-methyl-4-phenylbutan-1-amine?
The IUPAC name of 2-(3-methoxy-4-methylpiperidin-1-yl)-2-methyl-4-phenylbutan-1-amine (CID 102964881) is 2-(3-methoxy-4-methylpiperidin-1-yl)-2-methyl-4-phenylbutan-1-amine.
What is the SMILES notation for 2-(3-methoxy-4-methylpiperidin-1-yl)-2-methyl-4-phenylbutan-1-amine?
The canonical SMILES for 2-(3-methoxy-4-methylpiperidin-1-yl)-2-methyl-4-phenylbutan-1-amine is COC1CN(C(C)(CN)CCc2ccccc2)CCC1C.
What is the InChIKey of 2-(3-methoxy-4-methylpiperidin-1-yl)-2-methyl-4-phenylbutan-1-amine?
The InChIKey is YISBMCYIWPBSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-15-10-12-20(13-17(15)21-3)18(2,14-19)11-9-16-7-5-4-6-8-16/h4-8,15,17H,9-14,19H2,1-3H3.
What are the key properties of 2-(3-methoxy-4-methylpiperidin-1-yl)-2-methyl-4-phenylbutan-1-amine?
2-(3-methoxy-4-methylpiperidin-1-yl)-2-methyl-4-phenylbutan-1-amine has a molecular weight of 290.45 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-methylpiperidin-1-yl)-2-methyl-4-phenylbutan-1-amine is sourced from PubChem (CID 102964881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).