1-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-2-yl]ethanamine

C14H26N4 — CID 104869108

IUPAC1-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-2-yl]ethanamine
SMILESCCCn1cc(CN2CCCCC2C(C)N)cn1
InChIInChI=1S/C14H26N4/c1-3-7-18-11-13(9-16-18)10-17-8-5-4-6-14(17)12(2)15/h9,11-12,14H,3-8,10,15H2,1-2H3
InChIKeyMEHCWVJUSFPASG-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.99
Rot. Bonds5

About 1-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-2-yl]ethanamine

1-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-2-yl]ethanamine (PubChem CID 104869108) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-2-yl]ethanamine
PubChem CID104869108
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name1-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-2-yl]ethanamine
SMILESCCCn1cc(CN2CCCCC2C(C)N)cn1
InChIInChI=1S/C14H26N4/c1-3-7-18-11-13(9-16-18)10-17-8-5-4-6-14(17)12(2)15/h9,11-12,14H,3-8,10,15H2,1-2H3
InChIKeyMEHCWVJUSFPASG-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]ethyl]propan-1-amine
CID 55256480
N-methyl-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]ethanamine
CID 63855206
4-[(2R)-1-[(1-propylpyrazol-4-yl)methyl]piperidin-2-yl]pyrimidine
CID 125016297
1-[1-[(6-chloro-3-pyridinyl)methyl]piperidin-2-yl]ethanamine
CID 55167435
4-[[2-(1-aminoethyl)piperidin-1-yl]methyl]phenol
CID 63254190
1-[1-[(1-ethylpyrazol-4-yl)methyl]azepan-2-yl]propan-2-ol
CID 114338918
2-[(2S)-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrazine
CID 124944246
2-[(2R)-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrazine
CID 124944247
[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]methanol
CID 62128080
2-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-4-yl]ethanamine
CID 103572299
1-[1-[(3-fluorophenyl)methyl]piperidin-2-yl]ethanamine
CID 63254271
1-[1-[1-(1-ethylpyrazol-4-yl)ethyl]piperidin-2-yl]ethanamine
CID 63255319

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-2-yl]ethanamine?
The IUPAC name of 1-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-2-yl]ethanamine (CID 104869108) is 1-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-2-yl]ethanamine.
What is the SMILES notation for 1-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-2-yl]ethanamine?
The canonical SMILES for 1-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-2-yl]ethanamine is CCCn1cc(CN2CCCCC2C(C)N)cn1.
What is the InChIKey of 1-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-2-yl]ethanamine?
The InChIKey is MEHCWVJUSFPASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-3-7-18-11-13(9-16-18)10-17-8-5-4-6-14(17)12(2)15/h9,11-12,14H,3-8,10,15H2,1-2H3.
What are the key properties of 1-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-2-yl]ethanamine?
1-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-2-yl]ethanamine has a molecular weight of 250.39 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-2-yl]ethanamine is sourced from PubChem (CID 104869108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).