1-[1-(4-amino-3-methoxyphenyl)piperidin-4-yl]-N-methylpiperidin-4-amine

C18H30N4O — CID 166656430

IUPAC1-[1-(4-amino-3-methoxyphenyl)piperidin-4-yl]-N-methylpiperidin-4-amine
SMILESCNC1CCN(C2CCN(c3ccc(N)c(OC)c3)CC2)CC1
InChIInChI=1S/C18H30N4O/c1-20-14-5-9-21(10-6-14)15-7-11-22(12-8-15)16-3-4-17(19)18(13-16)23-2/h3-4,13-15,20H,5-12,19H2,1-2H3
InChIKeyYHSRDRZAPZDADX-UHFFFAOYSA-N
MW318.46 g/mol
LogP1.93
Rot. Bonds4

About 1-[1-(4-amino-3-methoxyphenyl)piperidin-4-yl]-N-methylpiperidin-4-amine

1-[1-(4-amino-3-methoxyphenyl)piperidin-4-yl]-N-methylpiperidin-4-amine (PubChem CID 166656430) has the molecular formula C18H30N4O and a molecular weight of 318.46 g/mol. Its IUPAC name is 1-[1-(4-amino-3-methoxyphenyl)piperidin-4-yl]-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[1-(4-amino-3-methoxyphenyl)piperidin-4-yl]-N-methylpiperidin-4-amine
PubChem CID166656430
Molecular FormulaC18H30N4O
Molecular Weight318.46 g/mol
Exact Mass318.24
IUPAC Name1-[1-(4-amino-3-methoxyphenyl)piperidin-4-yl]-N-methylpiperidin-4-amine
SMILESCNC1CCN(C2CCN(c3ccc(N)c(OC)c3)CC2)CC1
InChIInChI=1S/C18H30N4O/c1-20-14-5-9-21(10-6-14)15-7-11-22(12-8-15)16-3-4-17(19)18(13-16)23-2/h3-4,13-15,20H,5-12,19H2,1-2H3
InChIKeyYHSRDRZAPZDADX-UHFFFAOYSA-N
XLogP1.93
TPSA53.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-amino-3-methoxyphenyl)piperidin-4-yl]-N-methylpiperidin-4-amine?
The IUPAC name of 1-[1-(4-amino-3-methoxyphenyl)piperidin-4-yl]-N-methylpiperidin-4-amine (CID 166656430) is 1-[1-(4-amino-3-methoxyphenyl)piperidin-4-yl]-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-[1-(4-amino-3-methoxyphenyl)piperidin-4-yl]-N-methylpiperidin-4-amine?
The canonical SMILES for 1-[1-(4-amino-3-methoxyphenyl)piperidin-4-yl]-N-methylpiperidin-4-amine is CNC1CCN(C2CCN(c3ccc(N)c(OC)c3)CC2)CC1.
What is the InChIKey of 1-[1-(4-amino-3-methoxyphenyl)piperidin-4-yl]-N-methylpiperidin-4-amine?
The InChIKey is YHSRDRZAPZDADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-20-14-5-9-21(10-6-14)15-7-11-22(12-8-15)16-3-4-17(19)18(13-16)23-2/h3-4,13-15,20H,5-12,19H2,1-2H3.
What are the key properties of 1-[1-(4-amino-3-methoxyphenyl)piperidin-4-yl]-N-methylpiperidin-4-amine?
1-[1-(4-amino-3-methoxyphenyl)piperidin-4-yl]-N-methylpiperidin-4-amine has a molecular weight of 318.46 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-amino-3-methoxyphenyl)piperidin-4-yl]-N-methylpiperidin-4-amine is sourced from PubChem (CID 166656430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).