tert-butyl 4-[[(6-chloro-3-cyclopropylpyridazin-4-yl)amino]methyl]piperidine-1-carboxylate

C18H27ClN4O2 — CID 155594602

IUPACtert-butyl 4-[[(6-chloro-3-cyclopropylpyridazin-4-yl)amino]methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CNc2cc(Cl)nnc2C2CC2)CC1
InChIInChI=1S/C18H27ClN4O2/c1-18(2,3)25-17(24)23-8-6-12(7-9-23)11-20-14-10-15(19)21-22-16(14)13-4-5-13/h10,12-13H,4-9,11H2,1-3H3,(H,20,21)
InChIKeyORMULPHCDZFIFM-UHFFFAOYSA-N
MW366.89 g/mol
LogP4.07
Rot. Bonds4

About tert-butyl 4-[[(6-chloro-3-cyclopropylpyridazin-4-yl)amino]methyl]piperidine-1-carboxylate

tert-butyl 4-[[(6-chloro-3-cyclopropylpyridazin-4-yl)amino]methyl]piperidine-1-carboxylate (PubChem CID 155594602) has the molecular formula C18H27ClN4O2 and a molecular weight of 366.89 g/mol. Its IUPAC name is tert-butyl 4-[[(6-chloro-3-cyclopropylpyridazin-4-yl)amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[(6-chloro-3-cyclopropylpyridazin-4-yl)amino]methyl]piperidine-1-carboxylate
PubChem CID155594602
Molecular FormulaC18H27ClN4O2
Molecular Weight366.89 g/mol
Exact Mass366.18
IUPAC Nametert-butyl 4-[[(6-chloro-3-cyclopropylpyridazin-4-yl)amino]methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CNc2cc(Cl)nnc2C2CC2)CC1
InChIInChI=1S/C18H27ClN4O2/c1-18(2,3)25-17(24)23-8-6-12(7-9-23)11-20-14-10-15(19)21-22-16(14)13-4-5-13/h10,12-13H,4-9,11H2,1-3H3,(H,20,21)
InChIKeyORMULPHCDZFIFM-UHFFFAOYSA-N
XLogP4.07
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-[[(6-chloro-3-cyclopropylpyridazin-4-yl)amino]methyl]piperidine-1-carboxylate with MolForge

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Related Compounds

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tert-butyl 4-[[[6-chloro-3-(ethylcarbamoyl)pyridazin-4-yl]amino]methyl]piperidine-1-carboxylate
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tert-butyl 4-[(3,6-dichloropyridazin-4-yl)amino]piperidine-1-carboxylate;ethane
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tert-butyl 4-[(2-chloro-4-fluoroanilino)methyl]piperidine-1-carboxylate
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tert-butyl 4-[(4-bromo-2,3-dichloroanilino)methyl]piperidine-1-carboxylate
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tert-butyl 4-(3-amino-6-chloro-2-pyridinyl)piperidine-1-carboxylate
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4-bromo-3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]benzoic acid
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tert-butyl 4-[(3-bromo-4-chloroanilino)methyl]piperidine-1-carboxylate
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tert-butyl 4-[[(1-amino-2-methyl-1-oxopropan-2-yl)amino]methyl]piperidine-1-carboxylate
CID 79699892
tert-butyl 4-[(5-chloropyrimidin-2-yl)sulfanylmethyl]piperidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[(6-chloro-3-cyclopropylpyridazin-4-yl)amino]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[(6-chloro-3-cyclopropylpyridazin-4-yl)amino]methyl]piperidine-1-carboxylate (CID 155594602) is tert-butyl 4-[[(6-chloro-3-cyclopropylpyridazin-4-yl)amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[(6-chloro-3-cyclopropylpyridazin-4-yl)amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[(6-chloro-3-cyclopropylpyridazin-4-yl)amino]methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CNc2cc(Cl)nnc2C2CC2)CC1.
What is the InChIKey of tert-butyl 4-[[(6-chloro-3-cyclopropylpyridazin-4-yl)amino]methyl]piperidine-1-carboxylate?
The InChIKey is ORMULPHCDZFIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN4O2/c1-18(2,3)25-17(24)23-8-6-12(7-9-23)11-20-14-10-15(19)21-22-16(14)13-4-5-13/h10,12-13H,4-9,11H2,1-3H3,(H,20,21).
What are the key properties of tert-butyl 4-[[(6-chloro-3-cyclopropylpyridazin-4-yl)amino]methyl]piperidine-1-carboxylate?
tert-butyl 4-[[(6-chloro-3-cyclopropylpyridazin-4-yl)amino]methyl]piperidine-1-carboxylate has a molecular weight of 366.89 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[(6-chloro-3-cyclopropylpyridazin-4-yl)amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 155594602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).