2-[1-[(2-propylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine

C14H26N4 — CID 114556350

IUPAC2-[1-[(2-propylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine
SMILESCCCn1nccc1CN1CCC(CCN)CC1
InChIInChI=1S/C14H26N4/c1-2-9-18-14(4-8-16-18)12-17-10-5-13(3-7-15)6-11-17/h4,8,13H,2-3,5-7,9-12,15H2,1H3
InChIKeyHDPKBGYJIHCTGK-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.85
Rot. Bonds6

About 2-[1-[(2-propylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine

2-[1-[(2-propylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine (PubChem CID 114556350) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-[1-[(2-propylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(2-propylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine
PubChem CID114556350
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name2-[1-[(2-propylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine
SMILESCCCn1nccc1CN1CCC(CCN)CC1
InChIInChI=1S/C14H26N4/c1-2-9-18-14(4-8-16-18)12-17-10-5-13(3-7-15)6-11-17/h4,8,13H,2-3,5-7,9-12,15H2,1H3
InChIKeyHDPKBGYJIHCTGK-UHFFFAOYSA-N
XLogP1.85
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-propylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine?
The IUPAC name of 2-[1-[(2-propylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine (CID 114556350) is 2-[1-[(2-propylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine.
What is the SMILES notation for 2-[1-[(2-propylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine?
The canonical SMILES for 2-[1-[(2-propylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine is CCCn1nccc1CN1CCC(CCN)CC1.
What is the InChIKey of 2-[1-[(2-propylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine?
The InChIKey is HDPKBGYJIHCTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-2-9-18-14(4-8-16-18)12-17-10-5-13(3-7-15)6-11-17/h4,8,13H,2-3,5-7,9-12,15H2,1H3.
What are the key properties of 2-[1-[(2-propylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine?
2-[1-[(2-propylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine has a molecular weight of 250.39 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-propylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine is sourced from PubChem (CID 114556350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).