2-[4-[3,4-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]-N,N-dimethylethanamine

C18H34N4 — CID 122472066

IUPAC2-[4-[3,4-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]-N,N-dimethylethanamine
SMILESCC(C)c1cn(C2CCN(CCN(C)C)CC2)nc1C(C)C
InChIInChI=1S/C18H34N4/c1-14(2)17-13-22(19-18(17)15(3)4)16-7-9-21(10-8-16)12-11-20(5)6/h13-16H,7-12H2,1-6H3
InChIKeyHAGNDHOSPNCSCY-UHFFFAOYSA-N
MW306.50 g/mol
LogP3.33
Rot. Bonds6

About 2-[4-[3,4-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]-N,N-dimethylethanamine

2-[4-[3,4-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]-N,N-dimethylethanamine (PubChem CID 122472066) has the molecular formula C18H34N4 and a molecular weight of 306.50 g/mol. Its IUPAC name is 2-[4-[3,4-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-[3,4-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]-N,N-dimethylethanamine
PubChem CID122472066
Molecular FormulaC18H34N4
Molecular Weight306.50 g/mol
Exact Mass306.28
IUPAC Name2-[4-[3,4-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]-N,N-dimethylethanamine
SMILESCC(C)c1cn(C2CCN(CCN(C)C)CC2)nc1C(C)C
InChIInChI=1S/C18H34N4/c1-14(2)17-13-22(19-18(17)15(3)4)16-7-9-21(10-8-16)12-11-20(5)6/h13-16H,7-12H2,1-6H3
InChIKeyHAGNDHOSPNCSCY-UHFFFAOYSA-N
XLogP3.33
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.50
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3,4-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-[3,4-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]-N,N-dimethylethanamine (CID 122472066) is 2-[4-[3,4-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-[3,4-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-[3,4-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]-N,N-dimethylethanamine is CC(C)c1cn(C2CCN(CCN(C)C)CC2)nc1C(C)C.
What is the InChIKey of 2-[4-[3,4-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]-N,N-dimethylethanamine?
The InChIKey is HAGNDHOSPNCSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4/c1-14(2)17-13-22(19-18(17)15(3)4)16-7-9-21(10-8-16)12-11-20(5)6/h13-16H,7-12H2,1-6H3.
What are the key properties of 2-[4-[3,4-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]-N,N-dimethylethanamine?
2-[4-[3,4-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]-N,N-dimethylethanamine has a molecular weight of 306.50 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3,4-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 122472066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).