3-piperidin-1-yl-N-(1H-pyrazol-5-ylmethyl)propan-1-amine

C12H22N4 — CID 43662417

IUPAC3-piperidin-1-yl-N-(1H-pyrazol-5-ylmethyl)propan-1-amine
SMILESc1cc(CNCCCN2CCCCC2)[nH]n1
InChIInChI=1S/C12H22N4/c1-2-8-16(9-3-1)10-4-6-13-11-12-5-7-14-15-12/h5,7,13H,1-4,6,8-11H2,(H,14,15)
InChIKeyHYQSHKPTTSOBNN-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.38
Rot. Bonds6

About 3-piperidin-1-yl-N-(1H-pyrazol-5-ylmethyl)propan-1-amine

3-piperidin-1-yl-N-(1H-pyrazol-5-ylmethyl)propan-1-amine (PubChem CID 43662417) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 3-piperidin-1-yl-N-(1H-pyrazol-5-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-piperidin-1-yl-N-(1H-pyrazol-5-ylmethyl)propan-1-amine
PubChem CID43662417
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name3-piperidin-1-yl-N-(1H-pyrazol-5-ylmethyl)propan-1-amine
SMILESc1cc(CNCCCN2CCCCC2)[nH]n1
InChIInChI=1S/C12H22N4/c1-2-8-16(9-3-1)10-4-6-13-11-12-5-7-14-15-12/h5,7,13H,1-4,6,8-11H2,(H,14,15)
InChIKeyHYQSHKPTTSOBNN-UHFFFAOYSA-N
XLogP1.38
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2,6-dimethylmorpholin-4-yl)-N-(1H-pyrazol-5-ylmethyl)butan-1-amine
CID 119110486
3-piperidin-1-yl-N-(pyridazin-4-ylmethyl)propan-1-amine
CID 113439259
1-(1H-pyrazol-5-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine
CID 61285482
3-piperidin-1-yl-N-(1H-pyrrol-3-ylmethyl)propan-1-amine
CID 66409579
3-piperidin-1-yl-N-(pyridin-2-ylmethyl)propan-1-amine
CID 28657609
2-(2-methylpyrrolidin-1-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine
CID 115656617
3-pyrrolidin-1-yl-N-[[4-[(2-pyrrolidin-1-ylethylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899287
N-[(4-fluorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657718
N-(1,2-oxazol-5-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 103605761
3-indol-1-yl-N-(1H-pyrazol-5-ylmethyl)propan-1-amine
CID 43662482
N-(1H-pyrazol-5-ylmethyl)-1-pyrrolidin-1-ylpropan-2-amine
CID 61472134
N-[(2-ethylpyrazol-3-yl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 115761556

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-yl-N-(1H-pyrazol-5-ylmethyl)propan-1-amine?
The IUPAC name of 3-piperidin-1-yl-N-(1H-pyrazol-5-ylmethyl)propan-1-amine (CID 43662417) is 3-piperidin-1-yl-N-(1H-pyrazol-5-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-piperidin-1-yl-N-(1H-pyrazol-5-ylmethyl)propan-1-amine?
The canonical SMILES for 3-piperidin-1-yl-N-(1H-pyrazol-5-ylmethyl)propan-1-amine is c1cc(CNCCCN2CCCCC2)[nH]n1.
What is the InChIKey of 3-piperidin-1-yl-N-(1H-pyrazol-5-ylmethyl)propan-1-amine?
The InChIKey is HYQSHKPTTSOBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-2-8-16(9-3-1)10-4-6-13-11-12-5-7-14-15-12/h5,7,13H,1-4,6,8-11H2,(H,14,15).
What are the key properties of 3-piperidin-1-yl-N-(1H-pyrazol-5-ylmethyl)propan-1-amine?
3-piperidin-1-yl-N-(1H-pyrazol-5-ylmethyl)propan-1-amine has a molecular weight of 222.34 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-yl-N-(1H-pyrazol-5-ylmethyl)propan-1-amine is sourced from PubChem (CID 43662417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).