5-(1-tert-butylpiperidin-4-yl)-4-methyl-1H-pyrrolo[2,3-c]pyridine

C17H25N3 — CID 155226398

IUPAC5-(1-tert-butylpiperidin-4-yl)-4-methyl-1H-pyrrolo[2,3-c]pyridine
SMILESCc1c(C2CCN(C(C)(C)C)CC2)ncc2[nH]ccc12
InChIInChI=1S/C17H25N3/c1-12-14-5-8-18-15(14)11-19-16(12)13-6-9-20(10-7-13)17(2,3)4/h5,8,11,13,18H,6-7,9-10H2,1-4H3
InChIKeyYGTHUZSUJKSQKJ-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.85
Rot. Bonds1

About 5-(1-tert-butylpiperidin-4-yl)-4-methyl-1H-pyrrolo[2,3-c]pyridine

5-(1-tert-butylpiperidin-4-yl)-4-methyl-1H-pyrrolo[2,3-c]pyridine (PubChem CID 155226398) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 5-(1-tert-butylpiperidin-4-yl)-4-methyl-1H-pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name5-(1-tert-butylpiperidin-4-yl)-4-methyl-1H-pyrrolo[2,3-c]pyridine
PubChem CID155226398
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name5-(1-tert-butylpiperidin-4-yl)-4-methyl-1H-pyrrolo[2,3-c]pyridine
SMILESCc1c(C2CCN(C(C)(C)C)CC2)ncc2[nH]ccc12
InChIInChI=1S/C17H25N3/c1-12-14-5-8-18-15(14)11-19-16(12)13-6-9-20(10-7-13)17(2,3)4/h5,8,11,13,18H,6-7,9-10H2,1-4H3
InChIKeyYGTHUZSUJKSQKJ-UHFFFAOYSA-N
XLogP3.85
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-4-(3-methyl-1,2,4-triazol-4-yl)piperidine
CID 118230663
4-[[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]-1H-indole
CID 124940343
4-(1-tert-butylpiperidin-4-yl)oxy-1H-pyridin-2-one
CID 68725705
1-tert-butyl-4-(3-methylphenyl)piperidine
CID 158482737
1-[4-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,3,6,8,11-pentaen-4-yl)piperidin-1-yl]ethanone
CID 135142976
1-tert-butyl-4-[1-(2-methylphenyl)pyrazol-4-yl]piperidine
CID 176809540
1-tert-butyl-N-(1H-imidazol-2-ylmethyl)piperidin-4-amine
CID 54976574
1-tert-butyl-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperidine
CID 156550920
tert-butyl 4-(4,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-3-yl)piperidine-1-carboxylate
CID 136980222
5-fluoro-N-methyl-1H-pyrrolo[2,3-c]pyridin-4-amine
CID 167269509
2-(1-tert-butylpiperidin-4-yl)-1,3-oxazole-4-carboxylic acid
CID 59035438
1-(1H-indol-4-yloxy)-3-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]propan-2-ol
CID 126807342

Frequently Asked Questions

What is the IUPAC name of 5-(1-tert-butylpiperidin-4-yl)-4-methyl-1H-pyrrolo[2,3-c]pyridine?
The IUPAC name of 5-(1-tert-butylpiperidin-4-yl)-4-methyl-1H-pyrrolo[2,3-c]pyridine (CID 155226398) is 5-(1-tert-butylpiperidin-4-yl)-4-methyl-1H-pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 5-(1-tert-butylpiperidin-4-yl)-4-methyl-1H-pyrrolo[2,3-c]pyridine?
The canonical SMILES for 5-(1-tert-butylpiperidin-4-yl)-4-methyl-1H-pyrrolo[2,3-c]pyridine is Cc1c(C2CCN(C(C)(C)C)CC2)ncc2[nH]ccc12.
What is the InChIKey of 5-(1-tert-butylpiperidin-4-yl)-4-methyl-1H-pyrrolo[2,3-c]pyridine?
The InChIKey is YGTHUZSUJKSQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-12-14-5-8-18-15(14)11-19-16(12)13-6-9-20(10-7-13)17(2,3)4/h5,8,11,13,18H,6-7,9-10H2,1-4H3.
What are the key properties of 5-(1-tert-butylpiperidin-4-yl)-4-methyl-1H-pyrrolo[2,3-c]pyridine?
5-(1-tert-butylpiperidin-4-yl)-4-methyl-1H-pyrrolo[2,3-c]pyridine has a molecular weight of 271.41 g/mol, XLogP of 3.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-tert-butylpiperidin-4-yl)-4-methyl-1H-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 155226398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).