1-[1-(oxan-2-ylmethyl)piperidin-4-yl]pyrazol-3-amine

C14H24N4O — CID 107109686

IUPAC1-[1-(oxan-2-ylmethyl)piperidin-4-yl]pyrazol-3-amine
SMILESNc1ccn(C2CCN(CC3CCCCO3)CC2)n1
InChIInChI=1S/C14H24N4O/c15-14-6-9-18(16-14)12-4-7-17(8-5-12)11-13-3-1-2-10-19-13/h6,9,12-13H,1-5,7-8,10-11H2,(H2,15,16)
InChIKeySSZWNIMSWBCTPU-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.67
Rot. Bonds3

About 1-[1-(oxan-2-ylmethyl)piperidin-4-yl]pyrazol-3-amine

1-[1-(oxan-2-ylmethyl)piperidin-4-yl]pyrazol-3-amine (PubChem CID 107109686) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[1-(oxan-2-ylmethyl)piperidin-4-yl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[1-(oxan-2-ylmethyl)piperidin-4-yl]pyrazol-3-amine
PubChem CID107109686
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name1-[1-(oxan-2-ylmethyl)piperidin-4-yl]pyrazol-3-amine
SMILESNc1ccn(C2CCN(CC3CCCCO3)CC2)n1
InChIInChI=1S/C14H24N4O/c15-14-6-9-18(16-14)12-4-7-17(8-5-12)11-13-3-1-2-10-19-13/h6,9,12-13H,1-5,7-8,10-11H2,(H2,15,16)
InChIKeySSZWNIMSWBCTPU-UHFFFAOYSA-N
XLogP1.67
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[3-(oxolan-2-yl)propyl]piperidin-4-yl]pyrazol-3-amine
CID 107109665
1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-(oxan-2-yl)ethanone
CID 107109025
1-[1-[(5-methyloxolan-2-yl)methyl]piperidin-4-yl]pyrazol-3-amine
CID 107110097
N-[1-[(3R)-1-[[(2S)-oxan-2-yl]methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129339923
1-[1-(2-cyclopropylethyl)piperidin-4-yl]pyrazol-3-amine
CID 107109993
1-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-4-yl]pyrazol-3-amine
CID 107109552
1-(1-cyclopentylsulfonylpiperidin-4-yl)pyrazol-3-amine
CID 107109344
1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-amine
CID 107109946
1-(1-heptylpiperidin-4-yl)pyrazol-3-amine
CID 107109683
1-(1-nonylpiperidin-4-yl)pyrazol-3-amine
CID 107109618
1-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-amine
CID 107109823
1-[1-(2-ethylcyclohexyl)piperidin-4-yl]pyrazol-3-amine
CID 107110067

Frequently Asked Questions

What is the IUPAC name of 1-[1-(oxan-2-ylmethyl)piperidin-4-yl]pyrazol-3-amine?
The IUPAC name of 1-[1-(oxan-2-ylmethyl)piperidin-4-yl]pyrazol-3-amine (CID 107109686) is 1-[1-(oxan-2-ylmethyl)piperidin-4-yl]pyrazol-3-amine.
What is the SMILES notation for 1-[1-(oxan-2-ylmethyl)piperidin-4-yl]pyrazol-3-amine?
The canonical SMILES for 1-[1-(oxan-2-ylmethyl)piperidin-4-yl]pyrazol-3-amine is Nc1ccn(C2CCN(CC3CCCCO3)CC2)n1.
What is the InChIKey of 1-[1-(oxan-2-ylmethyl)piperidin-4-yl]pyrazol-3-amine?
The InChIKey is SSZWNIMSWBCTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c15-14-6-9-18(16-14)12-4-7-17(8-5-12)11-13-3-1-2-10-19-13/h6,9,12-13H,1-5,7-8,10-11H2,(H2,15,16).
What are the key properties of 1-[1-(oxan-2-ylmethyl)piperidin-4-yl]pyrazol-3-amine?
1-[1-(oxan-2-ylmethyl)piperidin-4-yl]pyrazol-3-amine has a molecular weight of 264.37 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(oxan-2-ylmethyl)piperidin-4-yl]pyrazol-3-amine is sourced from PubChem (CID 107109686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).