N-[1-(2-methoxyethyl)pyrazol-4-yl]-1-methylpiperidin-4-amine

C12H22N4O — CID 43728962

IUPACN-[1-(2-methoxyethyl)pyrazol-4-yl]-1-methylpiperidin-4-amine
SMILESCOCCn1cc(NC2CCN(C)CC2)cn1
InChIInChI=1S/C12H22N4O/c1-15-5-3-11(4-6-15)14-12-9-13-16(10-12)7-8-17-2/h9-11,14H,3-8H2,1-2H3
InChIKeyZIBPPAZQOGQHQF-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.04
Rot. Bonds5

About N-[1-(2-methoxyethyl)pyrazol-4-yl]-1-methylpiperidin-4-amine

N-[1-(2-methoxyethyl)pyrazol-4-yl]-1-methylpiperidin-4-amine (PubChem CID 43728962) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[1-(2-methoxyethyl)pyrazol-4-yl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[1-(2-methoxyethyl)pyrazol-4-yl]-1-methylpiperidin-4-amine
PubChem CID43728962
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN-[1-(2-methoxyethyl)pyrazol-4-yl]-1-methylpiperidin-4-amine
SMILESCOCCn1cc(NC2CCN(C)CC2)cn1
InChIInChI=1S/C12H22N4O/c1-15-5-3-11(4-6-15)14-12-9-13-16(10-12)7-8-17-2/h9-11,14H,3-8H2,1-2H3
InChIKeyZIBPPAZQOGQHQF-UHFFFAOYSA-N
XLogP1.04
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethyl)pyrazol-4-yl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[1-(2-methoxyethyl)pyrazol-4-yl]-1-methylpiperidin-4-amine (CID 43728962) is N-[1-(2-methoxyethyl)pyrazol-4-yl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[1-(2-methoxyethyl)pyrazol-4-yl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[1-(2-methoxyethyl)pyrazol-4-yl]-1-methylpiperidin-4-amine is COCCn1cc(NC2CCN(C)CC2)cn1.
What is the InChIKey of N-[1-(2-methoxyethyl)pyrazol-4-yl]-1-methylpiperidin-4-amine?
The InChIKey is ZIBPPAZQOGQHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-15-5-3-11(4-6-15)14-12-9-13-16(10-12)7-8-17-2/h9-11,14H,3-8H2,1-2H3.
What are the key properties of N-[1-(2-methoxyethyl)pyrazol-4-yl]-1-methylpiperidin-4-amine?
N-[1-(2-methoxyethyl)pyrazol-4-yl]-1-methylpiperidin-4-amine has a molecular weight of 238.33 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethyl)pyrazol-4-yl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 43728962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).