4-[4-(3-methylpyrazol-1-yl)piperidin-1-yl]azepane

C15H26N4 — CID 141418484

IUPAC4-[4-(3-methylpyrazol-1-yl)piperidin-1-yl]azepane
SMILESCc1ccn(C2CCN(C3CCCNCC3)CC2)n1
InChIInChI=1S/C15H26N4/c1-13-5-12-19(17-13)15-6-10-18(11-7-15)14-3-2-8-16-9-4-14/h5,12,14-16H,2-4,6-11H2,1H3
InChIKeyTVFISJXLAJCJPU-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.97
Rot. Bonds2

About 4-[4-(3-methylpyrazol-1-yl)piperidin-1-yl]azepane

4-[4-(3-methylpyrazol-1-yl)piperidin-1-yl]azepane (PubChem CID 141418484) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-[4-(3-methylpyrazol-1-yl)piperidin-1-yl]azepane.

Molecular Properties

Compound Name4-[4-(3-methylpyrazol-1-yl)piperidin-1-yl]azepane
PubChem CID141418484
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name4-[4-(3-methylpyrazol-1-yl)piperidin-1-yl]azepane
SMILESCc1ccn(C2CCN(C3CCCNCC3)CC2)n1
InChIInChI=1S/C15H26N4/c1-13-5-12-19(17-13)15-6-10-18(11-7-15)14-3-2-8-16-9-4-14/h5,12,14-16H,2-4,6-11H2,1H3
InChIKeyTVFISJXLAJCJPU-UHFFFAOYSA-N
XLogP1.97
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-[(3S)-pyrrolidin-3-yl]pyrazole
CID 95366500
4-[1-(1-piperidin-4-ylpiperidin-4-yl)pyrazol-3-yl]pyridine
CID 162786162
4-[3-(trifluoromethyl)pyrazol-1-yl]azepane
CID 63903132
1,4-diazabicyclo[6.2.0]decane
CID 118210284
4-(3-piperidin-1-ylpyrrolidin-1-yl)azepane
CID 63902936
1-(3,4-dimethylcyclohexyl)-3-methylpyrazole
CID 64738875
1-azabicyclo[3.2.0]heptane;azepane
CID 57473310
1-(azepan-4-yl)-3-methylpiperidin-4-ol
CID 114683846
4-(3-ethoxypyrazol-1-yl)piperidine
CID 89388808
4-(4-propan-2-ylpiperazin-1-yl)azepane
CID 63903106
3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)pyrazole
CID 79920836
3-methyl-5-(3-methylpyrazol-1-yl)piperidine
CID 115375144

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-methylpyrazol-1-yl)piperidin-1-yl]azepane?
The IUPAC name of 4-[4-(3-methylpyrazol-1-yl)piperidin-1-yl]azepane (CID 141418484) is 4-[4-(3-methylpyrazol-1-yl)piperidin-1-yl]azepane.
What is the SMILES notation for 4-[4-(3-methylpyrazol-1-yl)piperidin-1-yl]azepane?
The canonical SMILES for 4-[4-(3-methylpyrazol-1-yl)piperidin-1-yl]azepane is Cc1ccn(C2CCN(C3CCCNCC3)CC2)n1.
What is the InChIKey of 4-[4-(3-methylpyrazol-1-yl)piperidin-1-yl]azepane?
The InChIKey is TVFISJXLAJCJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-13-5-12-19(17-13)15-6-10-18(11-7-15)14-3-2-8-16-9-4-14/h5,12,14-16H,2-4,6-11H2,1H3.
What are the key properties of 4-[4-(3-methylpyrazol-1-yl)piperidin-1-yl]azepane?
4-[4-(3-methylpyrazol-1-yl)piperidin-1-yl]azepane has a molecular weight of 262.40 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-methylpyrazol-1-yl)piperidin-1-yl]azepane is sourced from PubChem (CID 141418484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).