N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1-(2-methylpropyl)piperidin-4-amine

C16H30N4O — CID 56716001

IUPACN-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1-(2-methylpropyl)piperidin-4-amine
SMILESCOCC(NC1CCN(CC(C)C)CC1)c1ccnn1C
InChIInChI=1S/C16H30N4O/c1-13(2)11-20-9-6-14(7-10-20)18-15(12-21-4)16-5-8-17-19(16)3/h5,8,13-15,18H,6-7,9-12H2,1-4H3
InChIKeyZSVZUUXKBRHDOA-UHFFFAOYSA-N
MW294.44 g/mol
LogP1.82
Rot. Bonds7

About N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1-(2-methylpropyl)piperidin-4-amine

N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1-(2-methylpropyl)piperidin-4-amine (PubChem CID 56716001) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1-(2-methylpropyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1-(2-methylpropyl)piperidin-4-amine
PubChem CID56716001
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC NameN-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1-(2-methylpropyl)piperidin-4-amine
SMILESCOCC(NC1CCN(CC(C)C)CC1)c1ccnn1C
InChIInChI=1S/C16H30N4O/c1-13(2)11-20-9-6-14(7-10-20)18-15(12-21-4)16-5-8-17-19(16)3/h5,8,13-15,18H,6-7,9-12H2,1-4H3
InChIKeyZSVZUUXKBRHDOA-UHFFFAOYSA-N
XLogP1.82
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1-(2-methylpropyl)piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1-(2-methylpropyl)piperidin-4-amine?
The IUPAC name of N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1-(2-methylpropyl)piperidin-4-amine (CID 56716001) is N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1-(2-methylpropyl)piperidin-4-amine.
What is the SMILES notation for N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1-(2-methylpropyl)piperidin-4-amine?
The canonical SMILES for N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1-(2-methylpropyl)piperidin-4-amine is COCC(NC1CCN(CC(C)C)CC1)c1ccnn1C.
What is the InChIKey of N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1-(2-methylpropyl)piperidin-4-amine?
The InChIKey is ZSVZUUXKBRHDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-13(2)11-20-9-6-14(7-10-20)18-15(12-21-4)16-5-8-17-19(16)3/h5,8,13-15,18H,6-7,9-12H2,1-4H3.
What are the key properties of N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1-(2-methylpropyl)piperidin-4-amine?
N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1-(2-methylpropyl)piperidin-4-amine has a molecular weight of 294.44 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1-(2-methylpropyl)piperidin-4-amine is sourced from PubChem (CID 56716001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).