2-tert-butyl-1-[(1-methylpiperidin-4-yl)methyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

C17H30N4 — CID 64856415

IUPAC2-tert-butyl-1-[(1-methylpiperidin-4-yl)methyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCN1CCC(Cn2c(C(C)(C)C)nc3c2CCNC3)CC1
InChIInChI=1S/C17H30N4/c1-17(2,3)16-19-14-11-18-8-5-15(14)21(16)12-13-6-9-20(4)10-7-13/h13,18H,5-12H2,1-4H3
InChIKeyPTJDCGYRVJLDBU-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.17
Rot. Bonds2

About 2-tert-butyl-1-[(1-methylpiperidin-4-yl)methyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

2-tert-butyl-1-[(1-methylpiperidin-4-yl)methyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 64856415) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-tert-butyl-1-[(1-methylpiperidin-4-yl)methyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-tert-butyl-1-[(1-methylpiperidin-4-yl)methyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID64856415
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC Name2-tert-butyl-1-[(1-methylpiperidin-4-yl)methyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCN1CCC(Cn2c(C(C)(C)C)nc3c2CCNC3)CC1
InChIInChI=1S/C17H30N4/c1-17(2,3)16-19-14-11-18-8-5-15(14)21(16)12-13-6-9-20(4)10-7-13/h13,18H,5-12H2,1-4H3
InChIKeyPTJDCGYRVJLDBU-UHFFFAOYSA-N
XLogP2.17
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-[(1-methylpiperidin-4-yl)methyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 2-tert-butyl-1-[(1-methylpiperidin-4-yl)methyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 64856415) is 2-tert-butyl-1-[(1-methylpiperidin-4-yl)methyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 2-tert-butyl-1-[(1-methylpiperidin-4-yl)methyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 2-tert-butyl-1-[(1-methylpiperidin-4-yl)methyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is CN1CCC(Cn2c(C(C)(C)C)nc3c2CCNC3)CC1.
What is the InChIKey of 2-tert-butyl-1-[(1-methylpiperidin-4-yl)methyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is PTJDCGYRVJLDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-17(2,3)16-19-14-11-18-8-5-15(14)21(16)12-13-6-9-20(4)10-7-13/h13,18H,5-12H2,1-4H3.
What are the key properties of 2-tert-butyl-1-[(1-methylpiperidin-4-yl)methyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
2-tert-butyl-1-[(1-methylpiperidin-4-yl)methyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 290.45 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-[(1-methylpiperidin-4-yl)methyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 64856415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).