N-[[4-(3-methoxy-3-methylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine

C18H30N2O — CID 107393813

IUPACN-[[4-(3-methoxy-3-methylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
SMILESCOC1(C)CCCN(c2ccc(CNCC(C)C)cc2)C1
InChIInChI=1S/C18H30N2O/c1-15(2)12-19-13-16-6-8-17(9-7-16)20-11-5-10-18(3,14-20)21-4/h6-9,15,19H,5,10-14H2,1-4H3
InChIKeyXZJUYNRNQIJDAH-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.44
Rot. Bonds6

About N-[[4-(3-methoxy-3-methylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine

N-[[4-(3-methoxy-3-methylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine (PubChem CID 107393813) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[[4-(3-methoxy-3-methylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-(3-methoxy-3-methylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
PubChem CID107393813
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[[4-(3-methoxy-3-methylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
SMILESCOC1(C)CCCN(c2ccc(CNCC(C)C)cc2)C1
InChIInChI=1S/C18H30N2O/c1-15(2)12-19-13-16-6-8-17(9-7-16)20-11-5-10-18(3,14-20)21-4/h6-9,15,19H,5,10-14H2,1-4H3
InChIKeyXZJUYNRNQIJDAH-UHFFFAOYSA-N
XLogP3.44
TPSA24.50 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 ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-[4-(3-methoxy-3-methylpiperidin-1-yl)phenyl]ethanamine
CID 107393087
(1R)-1-[5-(3-methoxy-3-methylpiperidin-1-yl)-2-pyridinyl]ethanol
CID 107393509
N-[[4-(7,7-dimethyl-1,4-thiazepan-4-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 107457020
2-methyl-N-[[4-(4-phenylpiperazin-1-yl)phenyl]methyl]propan-1-amine
CID 112722137
N-[[4-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 63059986
N,N-dimethyl-1-[4-[(2-methylpropylamino)methyl]phenyl]piperidin-4-amine
CID 63059689
2-(1-aminoethyl)-5-(3-methoxy-3-methylpiperidin-1-yl)phenol
CID 107393078
3-methyl-1-[(4-pyrrolidin-1-ylphenyl)methylamino]butan-2-ol
CID 115630567
2-methoxy-N-[[2-(3-methoxy-3-methylpiperidin-1-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 107395917
N-[[2-(3-methoxy-3-methylpiperidin-1-yl)-1,3-thiazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107395922
N-[[6-(azocan-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62279303
2-[4-(3-methoxy-3-methylpiperidin-1-yl)-2-methylphenyl]ethanamine
CID 107395907

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-methoxy-3-methylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-(3-methoxy-3-methylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine (CID 107393813) is N-[[4-(3-methoxy-3-methylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-(3-methoxy-3-methylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-(3-methoxy-3-methylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine is COC1(C)CCCN(c2ccc(CNCC(C)C)cc2)C1.
What is the InChIKey of N-[[4-(3-methoxy-3-methylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is XZJUYNRNQIJDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-15(2)12-19-13-16-6-8-17(9-7-16)20-11-5-10-18(3,14-20)21-4/h6-9,15,19H,5,10-14H2,1-4H3.
What are the key properties of N-[[4-(3-methoxy-3-methylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine?
N-[[4-(3-methoxy-3-methylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 290.45 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-methoxy-3-methylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 107393813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).