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

C16H30N4 — CID 64799039

IUPAC1-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-yl]ethanamine
SMILESCCC(CC)n1ccc(CN2CCCC(C(C)N)C2)n1
InChIInChI=1S/C16H30N4/c1-4-16(5-2)20-10-8-15(18-20)12-19-9-6-7-14(11-19)13(3)17/h8,10,13-14,16H,4-7,9,11-12,17H2,1-3H3
InChIKeyCVUNKASLOPFAEV-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.80
Rot. Bonds6

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

1-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-yl]ethanamine (PubChem CID 64799039) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-yl]ethanamine
PubChem CID64799039
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name1-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-yl]ethanamine
SMILESCCC(CC)n1ccc(CN2CCCC(C(C)N)C2)n1
InChIInChI=1S/C16H30N4/c1-4-16(5-2)20-10-8-15(18-20)12-19-9-6-7-14(11-19)13(3)17/h8,10,13-14,16H,4-7,9,11-12,17H2,1-3H3
InChIKeyCVUNKASLOPFAEV-UHFFFAOYSA-N
XLogP2.80
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.80
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
2-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-yl]ethanamine
CID 64784051
1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-amine
CID 64785981
1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-ol
CID 64777101
3-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-4-ol
CID 114502495
5-[[3-(1-aminoethyl)piperidin-1-yl]methyl]-N-ethyl-N-methylpyridin-2-amine;hydrochloride
CID 120841116
N-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-3-amine
CID 64771689
[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-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]ethanamine
CID 120841022
1-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-(2-chloroethyl)piperidine
CID 64778789
1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidine-2-carbonitrile
CID 64800731

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-yl]ethanamine?
The IUPAC name of 1-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-yl]ethanamine (CID 64799039) is 1-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-yl]ethanamine.
What is the SMILES notation for 1-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-yl]ethanamine?
The canonical SMILES for 1-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-yl]ethanamine is CCC(CC)n1ccc(CN2CCCC(C(C)N)C2)n1.
What is the InChIKey of 1-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-yl]ethanamine?
The InChIKey is CVUNKASLOPFAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-4-16(5-2)20-10-8-15(18-20)12-19-9-6-7-14(11-19)13(3)17/h8,10,13-14,16H,4-7,9,11-12,17H2,1-3H3.
What are the key properties of 1-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-yl]ethanamine?
1-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-yl]ethanamine has a molecular weight of 278.44 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-yl]ethanamine is sourced from PubChem (CID 64799039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).