2-[1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-2-yl]-N,N-dimethylethanamine

C17H30N4 — CID 70767053

IUPAC2-[1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-2-yl]-N,N-dimethylethanamine
SMILESCN(C)CCC1CCCCN1Cc1cnn(C)c1C1CC1
InChIInChI=1S/C17H30N4/c1-19(2)11-9-16-6-4-5-10-21(16)13-15-12-18-20(3)17(15)14-7-8-14/h12,14,16H,4-11,13H2,1-3H3
InChIKeyIEMQUNOPRICKRA-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.60
Rot. Bonds6

About 2-[1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-2-yl]-N,N-dimethylethanamine

2-[1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-2-yl]-N,N-dimethylethanamine (PubChem CID 70767053) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-[1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-2-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-2-yl]-N,N-dimethylethanamine
PubChem CID70767053
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC Name2-[1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-2-yl]-N,N-dimethylethanamine
SMILESCN(C)CCC1CCCCN1Cc1cnn(C)c1C1CC1
InChIInChI=1S/C17H30N4/c1-19(2)11-9-16-6-4-5-10-21(16)13-15-12-18-20(3)17(15)14-7-8-14/h12,14,16H,4-11,13H2,1-3H3
InChIKeyIEMQUNOPRICKRA-UHFFFAOYSA-N
XLogP2.60
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-2-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-2-yl]-N,N-dimethylethanamine (CID 70767053) is 2-[1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-2-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-2-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-2-yl]-N,N-dimethylethanamine is CN(C)CCC1CCCCN1Cc1cnn(C)c1C1CC1.
What is the InChIKey of 2-[1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-2-yl]-N,N-dimethylethanamine?
The InChIKey is IEMQUNOPRICKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-19(2)11-9-16-6-4-5-10-21(16)13-15-12-18-20(3)17(15)14-7-8-14/h12,14,16H,4-11,13H2,1-3H3.
What are the key properties of 2-[1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-2-yl]-N,N-dimethylethanamine?
2-[1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-2-yl]-N,N-dimethylethanamine has a molecular weight of 290.45 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-2-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 70767053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).