N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methylpiperidin-3-amine

C14H26N4 — CID 56700850

IUPACN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methylpiperidin-3-amine
SMILESCN(Cc1cc(C(C)(C)C)n[nH]1)C1CCCNC1
InChIInChI=1S/C14H26N4/c1-14(2,3)13-8-11(16-17-13)10-18(4)12-6-5-7-15-9-12/h8,12,15H,5-7,9-10H2,1-4H3,(H,16,17)
InChIKeyOVBZOABYDHQFIS-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.89
Rot. Bonds3

About N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methylpiperidin-3-amine

N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methylpiperidin-3-amine (PubChem CID 56700850) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methylpiperidin-3-amine.

Molecular Properties

Compound NameN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methylpiperidin-3-amine
PubChem CID56700850
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC NameN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methylpiperidin-3-amine
SMILESCN(Cc1cc(C(C)(C)C)n[nH]1)C1CCCNC1
InChIInChI=1S/C14H26N4/c1-14(2,3)13-8-11(16-17-13)10-18(4)12-6-5-7-15-9-12/h8,12,15H,5-7,9-10H2,1-4H3,(H,16,17)
InChIKeyOVBZOABYDHQFIS-UHFFFAOYSA-N
XLogP1.89
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-cyclohexyl-1H-pyrazol-5-yl)methyl]piperidine
CID 786815
((5-tert-butyl-1H-pyrazol-3-yl)methyl)(methyl)amine
CID 44236865
1-(5-Cyclopropyl-1H-pyrazol-3-YL)-N-methylmethanamine
CID 44236867
3-[3-(propan-2-yl)-1H-pyrazol-5-yl]piperidine
CID 71695345
1-isobutyl-4-{1-[(3-methyl-1H-pyrazol-5-yl)methyl]-3-pyrrolidinyl}piperidine
CID 45194228
1-isobutyl-N-[1-methyl-2-(3-methyl-1H-pyrazol-5-yl)ethyl]piperidin-4-amine
CID 56712928
({4-[(5-tert-butyl-1H-pyrazol-3-yl)methyl]morpholin-2-yl}methyl)amine
CID 56721872
N,2,2,6,6-Pentamethyl-N-[(5-propyl-1H-pyrazol-3-YL)methyl]piperidin-4-amine
CID 56748665
[(5-tert-butyl-1H-pyrazol-3-yl)methyl]amine dihydrochloride
CID 17163618
[(5-tert-butyl-1H-pyrazol-3-yl)methyl]methylamine dihydrochloride
CID 44236864
4-(3-methyl-1H-pyrazol-5-yl)piperidine dihydrochloride
CID 71757999
3-(3-methyl-1H-pyrazol-5-yl)piperidine hydrochloride
CID 112756464

Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methylpiperidin-3-amine?
The IUPAC name of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methylpiperidin-3-amine (CID 56700850) is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methylpiperidin-3-amine.
What is the SMILES notation for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methylpiperidin-3-amine?
The canonical SMILES for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methylpiperidin-3-amine is CN(Cc1cc(C(C)(C)C)n[nH]1)C1CCCNC1.
What is the InChIKey of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methylpiperidin-3-amine?
The InChIKey is OVBZOABYDHQFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-14(2,3)13-8-11(16-17-13)10-18(4)12-6-5-7-15-9-12/h8,12,15H,5-7,9-10H2,1-4H3,(H,16,17).
What are the key properties of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methylpiperidin-3-amine?
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methylpiperidin-3-amine has a molecular weight of 250.39 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methylpiperidin-3-amine is sourced from PubChem (CID 56700850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).