1-tert-butyl-4-[[4-(3-methylpyrazol-1-yl)piperidin-1-yl]methyl]piperidine

C19H34N4 — CID 171576643

IUPAC1-tert-butyl-4-[[4-(3-methylpyrazol-1-yl)piperidin-1-yl]methyl]piperidine
SMILESCc1ccn(C2CCN(CC3CCN(C(C)(C)C)CC3)CC2)n1
InChIInChI=1S/C19H34N4/c1-16-5-14-23(20-16)18-8-10-21(11-9-18)15-17-6-12-22(13-7-17)19(2,3)4/h5,14,17-18H,6-13,15H2,1-4H3
InChIKeyLDFHJVWDUXEGPP-UHFFFAOYSA-N
MW318.51 g/mol
LogP3.34
Rot. Bonds3

About 1-tert-butyl-4-[[4-(3-methylpyrazol-1-yl)piperidin-1-yl]methyl]piperidine

1-tert-butyl-4-[[4-(3-methylpyrazol-1-yl)piperidin-1-yl]methyl]piperidine (PubChem CID 171576643) has the molecular formula C19H34N4 and a molecular weight of 318.51 g/mol. Its IUPAC name is 1-tert-butyl-4-[[4-(3-methylpyrazol-1-yl)piperidin-1-yl]methyl]piperidine.

Molecular Properties

Compound Name1-tert-butyl-4-[[4-(3-methylpyrazol-1-yl)piperidin-1-yl]methyl]piperidine
PubChem CID171576643
Molecular FormulaC19H34N4
Molecular Weight318.51 g/mol
Exact Mass318.28
IUPAC Name1-tert-butyl-4-[[4-(3-methylpyrazol-1-yl)piperidin-1-yl]methyl]piperidine
SMILESCc1ccn(C2CCN(CC3CCN(C(C)(C)C)CC3)CC2)n1
InChIInChI=1S/C19H34N4/c1-16-5-14-23(20-16)18-8-10-21(11-9-18)15-17-6-12-22(13-7-17)19(2,3)4/h5,14,17-18H,6-13,15H2,1-4H3
InChIKeyLDFHJVWDUXEGPP-UHFFFAOYSA-N
XLogP3.34
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.51
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-tert-butyl-4-[[4-(3-methylpyrazol-1-yl)piperidin-1-yl]methyl]piperidine 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 1-tert-butyl-4-[[4-(3-methylpyrazol-1-yl)piperidin-1-yl]methyl]piperidine?
The IUPAC name of 1-tert-butyl-4-[[4-(3-methylpyrazol-1-yl)piperidin-1-yl]methyl]piperidine (CID 171576643) is 1-tert-butyl-4-[[4-(3-methylpyrazol-1-yl)piperidin-1-yl]methyl]piperidine.
What is the SMILES notation for 1-tert-butyl-4-[[4-(3-methylpyrazol-1-yl)piperidin-1-yl]methyl]piperidine?
The canonical SMILES for 1-tert-butyl-4-[[4-(3-methylpyrazol-1-yl)piperidin-1-yl]methyl]piperidine is Cc1ccn(C2CCN(CC3CCN(C(C)(C)C)CC3)CC2)n1.
What is the InChIKey of 1-tert-butyl-4-[[4-(3-methylpyrazol-1-yl)piperidin-1-yl]methyl]piperidine?
The InChIKey is LDFHJVWDUXEGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4/c1-16-5-14-23(20-16)18-8-10-21(11-9-18)15-17-6-12-22(13-7-17)19(2,3)4/h5,14,17-18H,6-13,15H2,1-4H3.
What are the key properties of 1-tert-butyl-4-[[4-(3-methylpyrazol-1-yl)piperidin-1-yl]methyl]piperidine?
1-tert-butyl-4-[[4-(3-methylpyrazol-1-yl)piperidin-1-yl]methyl]piperidine has a molecular weight of 318.51 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[[4-(3-methylpyrazol-1-yl)piperidin-1-yl]methyl]piperidine is sourced from PubChem (CID 171576643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).