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

C17H30N4 — CID 70782560

IUPAC1-[1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-N,N-dimethylethanamine
SMILESCC(C1CCN(Cc2cnn(C)c2C2CC2)CC1)N(C)C
InChIInChI=1S/C17H30N4/c1-13(19(2)3)14-7-9-21(10-8-14)12-16-11-18-20(4)17(16)15-5-6-15/h11,13-15H,5-10,12H2,1-4H3
InChIKeyGSGMLUOGPZQBKQ-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.46
Rot. Bonds5

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

1-[1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-N,N-dimethylethanamine (PubChem CID 70782560) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-[1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name1-[1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-N,N-dimethylethanamine
PubChem CID70782560
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC Name1-[1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-N,N-dimethylethanamine
SMILESCC(C1CCN(Cc2cnn(C)c2C2CC2)CC1)N(C)C
InChIInChI=1S/C17H30N4/c1-13(19(2)3)14-7-9-21(10-8-14)12-16-11-18-20(4)17(16)15-5-6-15/h11,13-15H,5-10,12H2,1-4H3
InChIKeyGSGMLUOGPZQBKQ-UHFFFAOYSA-N
XLogP2.46
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-N,N-dimethylethanamine?
The IUPAC name of 1-[1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-N,N-dimethylethanamine (CID 70782560) is 1-[1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 1-[1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-N,N-dimethylethanamine?
The canonical SMILES for 1-[1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-N,N-dimethylethanamine is CC(C1CCN(Cc2cnn(C)c2C2CC2)CC1)N(C)C.
What is the InChIKey of 1-[1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-N,N-dimethylethanamine?
The InChIKey is GSGMLUOGPZQBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-13(19(2)3)14-7-9-21(10-8-14)12-16-11-18-20(4)17(16)15-5-6-15/h11,13-15H,5-10,12H2,1-4H3.
What are the key properties of 1-[1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-N,N-dimethylethanamine?
1-[1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-N,N-dimethylethanamine has a molecular weight of 290.45 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 70782560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).