tert-butyl 4-methyl-4-(1H-pyrazol-5-ylmethylamino)piperidine-1-carboxylate

C15H26N4O2 — CID 104956422

IUPACtert-butyl 4-methyl-4-(1H-pyrazol-5-ylmethylamino)piperidine-1-carboxylate
SMILESCC1(NCc2ccn[nH]2)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H26N4O2/c1-14(2,3)21-13(20)19-9-6-15(4,7-10-19)16-11-12-5-8-17-18-12/h5,8,16H,6-7,9-11H2,1-4H3,(H,17,18)
InChIKeyIQEQGEPLVHBLQI-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.29
Rot. Bonds3

About tert-butyl 4-methyl-4-(1H-pyrazol-5-ylmethylamino)piperidine-1-carboxylate

tert-butyl 4-methyl-4-(1H-pyrazol-5-ylmethylamino)piperidine-1-carboxylate (PubChem CID 104956422) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is tert-butyl 4-methyl-4-(1H-pyrazol-5-ylmethylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-methyl-4-(1H-pyrazol-5-ylmethylamino)piperidine-1-carboxylate
PubChem CID104956422
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Nametert-butyl 4-methyl-4-(1H-pyrazol-5-ylmethylamino)piperidine-1-carboxylate
SMILESCC1(NCc2ccn[nH]2)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H26N4O2/c1-14(2,3)21-13(20)19-9-6-15(4,7-10-19)16-11-12-5-8-17-18-12/h5,8,16H,6-7,9-11H2,1-4H3,(H,17,18)
InChIKeyIQEQGEPLVHBLQI-UHFFFAOYSA-N
XLogP2.29
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(1H-pyrazol-5-ylmethylamino)piperidine-1-carboxylate
CID 61285481
tert-butyl 4-methyl-4-(pyrimidin-4-ylmethylamino)piperidine-1-carboxylate
CID 107254388
tert-butyl 4-methyl-4-[(5-methyl-2-pyridinyl)methylamino]piperidine-1-carboxylate
CID 104956417
tert-butyl 4-(1H-pyrazol-5-ylmethyl)piperidine-1-carboxylate
CID 75481386
tert-butyl 3,3-dimethyl-5-(1H-pyrazol-5-ylmethylamino)azepane-1-carboxylate
CID 154734047
tert-butyl 4-[(3-hydroxyphenyl)methylamino]-4-methylpiperidine-1-carboxylate
CID 104956392
tert-butyl 3-(methoxymethyl)-3-[(1H-pyrazol-5-ylmethylamino)methyl]piperidine-1-carboxylate
CID 114280788
tert-butyl 4-[(1-ethenylpyrazol-4-yl)methylamino]-4-methylpiperidine-1-carboxylate
CID 107095533
tert-butyl (3S)-3-methoxy-4-(1H-pyrazol-5-ylmethylamino)pyrrolidine-1-carboxylate
CID 103845395
tert-butyl 4-methyl-4-(2-methylpropylamino)piperidine-1-carboxylate
CID 104956396
1,4-dimethyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine
CID 115630442
tert-butyl (2R,3S)-2-methyl-3-(1H-pyrazol-5-ylmethylamino)piperidine-1-carboxylate
CID 129400144

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-methyl-4-(1H-pyrazol-5-ylmethylamino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-methyl-4-(1H-pyrazol-5-ylmethylamino)piperidine-1-carboxylate (CID 104956422) is tert-butyl 4-methyl-4-(1H-pyrazol-5-ylmethylamino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-methyl-4-(1H-pyrazol-5-ylmethylamino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-methyl-4-(1H-pyrazol-5-ylmethylamino)piperidine-1-carboxylate is CC1(NCc2ccn[nH]2)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-methyl-4-(1H-pyrazol-5-ylmethylamino)piperidine-1-carboxylate?
The InChIKey is IQEQGEPLVHBLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-14(2,3)21-13(20)19-9-6-15(4,7-10-19)16-11-12-5-8-17-18-12/h5,8,16H,6-7,9-11H2,1-4H3,(H,17,18).
What are the key properties of tert-butyl 4-methyl-4-(1H-pyrazol-5-ylmethylamino)piperidine-1-carboxylate?
tert-butyl 4-methyl-4-(1H-pyrazol-5-ylmethylamino)piperidine-1-carboxylate has a molecular weight of 294.40 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-methyl-4-(1H-pyrazol-5-ylmethylamino)piperidine-1-carboxylate is sourced from PubChem (CID 104956422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).