N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-ethylpiperidin-3-amine

C16H30N4 — CID 83082207

IUPACN-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-ethylpiperidin-3-amine
SMILESCCN1CCCC(NCc2cn(C)nc2C(C)(C)C)C1
InChIInChI=1S/C16H30N4/c1-6-20-9-7-8-14(12-20)17-10-13-11-19(5)18-15(13)16(2,3)4/h11,14,17H,6-10,12H2,1-5H3
InChIKeyRKZPGEBGIIBKHU-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.29
Rot. Bonds4

About N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-ethylpiperidin-3-amine

N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-ethylpiperidin-3-amine (PubChem CID 83082207) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-ethylpiperidin-3-amine.

Molecular Properties

Compound NameN-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-ethylpiperidin-3-amine
PubChem CID83082207
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC NameN-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-ethylpiperidin-3-amine
SMILESCCN1CCCC(NCc2cn(C)nc2C(C)(C)C)C1
InChIInChI=1S/C16H30N4/c1-6-20-9-7-8-14(12-20)17-10-13-11-19(5)18-15(13)16(2,3)4/h11,14,17H,6-10,12H2,1-5H3
InChIKeyRKZPGEBGIIBKHU-UHFFFAOYSA-N
XLogP2.29
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpiperidin-4-amine
CID 83075690
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine
CID 115883584
N-[(2,3-difluorophenyl)methyl]-1-ethylpiperidin-3-amine
CID 63667561
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2,6-dimethylpiperidin-1-amine
CID 83089082
1-ethyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
CID 61171918
1-ethyl-N-(pyrimidin-5-ylmethyl)piperidin-3-amine
CID 62759751
3-N-(1-ethylpiperidin-3-yl)-1-methylpyrazole-3,4-diamine
CID 103078216
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 83083255
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-ethylpiperidin-3-amine
CID 66162353
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2-cyclopropylpropan-2-amine
CID 114110449
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-ethylpiperidin-3-amine
CID 61170965
N-[(2-chloro-5-nitrophenyl)methyl]-1-ethylpiperidin-3-amine
CID 61170567

Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-ethylpiperidin-3-amine?
The IUPAC name of N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-ethylpiperidin-3-amine (CID 83082207) is N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-ethylpiperidin-3-amine.
What is the SMILES notation for N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-ethylpiperidin-3-amine?
The canonical SMILES for N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-ethylpiperidin-3-amine is CCN1CCCC(NCc2cn(C)nc2C(C)(C)C)C1.
What is the InChIKey of N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-ethylpiperidin-3-amine?
The InChIKey is RKZPGEBGIIBKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-6-20-9-7-8-14(12-20)17-10-13-11-19(5)18-15(13)16(2,3)4/h11,14,17H,6-10,12H2,1-5H3.
What are the key properties of N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-ethylpiperidin-3-amine?
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-ethylpiperidin-3-amine has a molecular weight of 278.44 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-ethylpiperidin-3-amine is sourced from PubChem (CID 83082207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).