3-[[4-(5-methylpyrazol-1-yl)phenyl]methyl]piperidine

C16H21N3 — CID 117391854

IUPAC3-[[4-(5-methylpyrazol-1-yl)phenyl]methyl]piperidine
SMILESCc1ccnn1-c1ccc(CC2CCCNC2)cc1
InChIInChI=1S/C16H21N3/c1-13-8-10-18-19(13)16-6-4-14(5-7-16)11-15-3-2-9-17-12-15/h4-8,10,15,17H,2-3,9,11-12H2,1H3
InChIKeyNSITZWRAMUAKDT-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.72
Rot. Bonds3

About 3-[[4-(5-methylpyrazol-1-yl)phenyl]methyl]piperidine

3-[[4-(5-methylpyrazol-1-yl)phenyl]methyl]piperidine (PubChem CID 117391854) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 3-[[4-(5-methylpyrazol-1-yl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name3-[[4-(5-methylpyrazol-1-yl)phenyl]methyl]piperidine
PubChem CID117391854
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name3-[[4-(5-methylpyrazol-1-yl)phenyl]methyl]piperidine
SMILESCc1ccnn1-c1ccc(CC2CCCNC2)cc1
InChIInChI=1S/C16H21N3/c1-13-8-10-18-19(13)16-6-4-14(5-7-16)11-15-3-2-9-17-12-15/h4-8,10,15,17H,2-3,9,11-12H2,1H3
InChIKeyNSITZWRAMUAKDT-UHFFFAOYSA-N
XLogP2.72
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[4-(1-methylimidazol-2-yl)phenyl]methyl]piperidine
CID 117391857
2-(2-methylpyrazol-3-yl)-5-(piperidin-3-ylmethyl)pyridine
CID 110102100
3-[[4-(2-methylpropyl)phenyl]methyl]piperidine
CID 82049038
1-[[4-(5-methylpyrazol-1-yl)phenyl]methyl]piperazine
CID 117394628
2-methyl-4-[[(3R)-piperidin-3-yl]methyl]pyridine
CID 139490801
3-[4-(piperidin-3-ylmethyl)phenyl]piperidine
CID 116988274
1-[4-(piperidin-3-ylmethyl)phenyl]piperazine-2,3-dione
CID 117463834
4-(piperidin-3-ylmethyl)benzonitrile
CID 45074435
3-[(4-cyclobutylphenyl)methyl]piperidine
CID 84793090
4-[[(3R)-piperidin-3-yl]methyl]benzonitrile
CID 93078230
N,N-diethyl-4-(piperidin-3-ylmethyl)aniline
CID 117368943
3-[(4-ethylsulfanylphenyl)methyl]piperidine
CID 82496706

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(5-methylpyrazol-1-yl)phenyl]methyl]piperidine?
The IUPAC name of 3-[[4-(5-methylpyrazol-1-yl)phenyl]methyl]piperidine (CID 117391854) is 3-[[4-(5-methylpyrazol-1-yl)phenyl]methyl]piperidine.
What is the SMILES notation for 3-[[4-(5-methylpyrazol-1-yl)phenyl]methyl]piperidine?
The canonical SMILES for 3-[[4-(5-methylpyrazol-1-yl)phenyl]methyl]piperidine is Cc1ccnn1-c1ccc(CC2CCCNC2)cc1.
What is the InChIKey of 3-[[4-(5-methylpyrazol-1-yl)phenyl]methyl]piperidine?
The InChIKey is NSITZWRAMUAKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-13-8-10-18-19(13)16-6-4-14(5-7-16)11-15-3-2-9-17-12-15/h4-8,10,15,17H,2-3,9,11-12H2,1H3.
What are the key properties of 3-[[4-(5-methylpyrazol-1-yl)phenyl]methyl]piperidine?
3-[[4-(5-methylpyrazol-1-yl)phenyl]methyl]piperidine has a molecular weight of 255.37 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(5-methylpyrazol-1-yl)phenyl]methyl]piperidine is sourced from PubChem (CID 117391854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).