2-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-yl]ethanamine

C16H30N4 — CID 64784051

IUPAC2-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-yl]ethanamine
SMILESCCC(CC)n1ccc(CN2CCCC(CCN)C2)n1
InChIInChI=1S/C16H30N4/c1-3-16(4-2)20-11-8-15(18-20)13-19-10-5-6-14(12-19)7-9-17/h8,11,14,16H,3-7,9-10,12-13,17H2,1-2H3
InChIKeyBUIGKLYXUWVGSM-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.81
Rot. Bonds7

About 2-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-yl]ethanamine

2-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-yl]ethanamine (PubChem CID 64784051) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-yl]ethanamine
PubChem CID64784051
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name2-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-yl]ethanamine
SMILESCCC(CC)n1ccc(CN2CCCC(CCN)C2)n1
InChIInChI=1S/C16H30N4/c1-3-16(4-2)20-11-8-15(18-20)13-19-10-5-6-14(12-19)7-9-17/h8,11,14,16H,3-7,9-10,12-13,17H2,1-2H3
InChIKeyBUIGKLYXUWVGSM-UHFFFAOYSA-N
XLogP2.81
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-amine
CID 64785595
1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-amine
CID 64785981
1-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-yl]ethanamine
CID 64799039
1-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-(2-chloroethyl)piperidine
CID 64778789
3-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-4-ol
CID 114502495
1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-ol
CID 64777101
[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-4-yl]methanol
CID 64779447
3-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-4-one
CID 114500471
[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119918076
2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728713
2-[1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]ethanamine
CID 66119014
2-[1-(thiadiazol-4-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride
CID 120728721

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-yl]ethanamine?
The IUPAC name of 2-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-yl]ethanamine (CID 64784051) is 2-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-yl]ethanamine.
What is the SMILES notation for 2-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-yl]ethanamine?
The canonical SMILES for 2-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-yl]ethanamine is CCC(CC)n1ccc(CN2CCCC(CCN)C2)n1.
What is the InChIKey of 2-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-yl]ethanamine?
The InChIKey is BUIGKLYXUWVGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-3-16(4-2)20-11-8-15(18-20)13-19-10-5-6-14(12-19)7-9-17/h8,11,14,16H,3-7,9-10,12-13,17H2,1-2H3.
What are the key properties of 2-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-yl]ethanamine?
2-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-yl]ethanamine has a molecular weight of 278.44 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-yl]ethanamine is sourced from PubChem (CID 64784051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).