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

C14H26N4 — CID 64785595

IUPAC1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-amine
SMILESCCC(CC)n1ccc(CN2CCCC(N)C2)n1
InChIInChI=1S/C14H26N4/c1-3-14(4-2)18-9-7-13(16-18)11-17-8-5-6-12(15)10-17/h7,9,12,14H,3-6,8,10-11,15H2,1-2H3
InChIKeyMLZLBTVFGQQNJP-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.17
Rot. Bonds5

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

1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-amine (PubChem CID 64785595) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-amine
PubChem CID64785595
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-amine
SMILESCCC(CC)n1ccc(CN2CCCC(N)C2)n1
InChIInChI=1S/C14H26N4/c1-3-14(4-2)18-9-7-13(16-18)11-17-8-5-6-12(15)10-17/h7,9,12,14H,3-6,8,10-11,15H2,1-2H3
InChIKeyMLZLBTVFGQQNJP-UHFFFAOYSA-N
XLogP2.17
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-amine
CID 64785981
2-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-yl]ethanamine
CID 64784051
1-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-yl]ethanamine
CID 64799039
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
[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-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
N-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-3-amine
CID 64771689
1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 64783829
2-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclobutan-1-amine
CID 81013620

Frequently Asked Questions

What is the IUPAC name of 1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-amine?
The IUPAC name of 1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-amine (CID 64785595) is 1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-amine.
What is the SMILES notation for 1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-amine?
The canonical SMILES for 1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-amine is CCC(CC)n1ccc(CN2CCCC(N)C2)n1.
What is the InChIKey of 1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-amine?
The InChIKey is MLZLBTVFGQQNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-3-14(4-2)18-9-7-13(16-18)11-17-8-5-6-12(15)10-17/h7,9,12,14H,3-6,8,10-11,15H2,1-2H3.
What are the key properties of 1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-amine?
1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-amine has a molecular weight of 250.39 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-amine is sourced from PubChem (CID 64785595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).