2-[4-(5-bromopyrazol-1-yl)phenyl]piperidine

C14H16BrN3 — CID 117491380

IUPAC2-[4-(5-bromopyrazol-1-yl)phenyl]piperidine
SMILESBrc1ccnn1-c1ccc(C2CCCCN2)cc1
InChIInChI=1S/C14H16BrN3/c15-14-8-10-17-18(14)12-6-4-11(5-7-12)13-3-1-2-9-16-13/h4-8,10,13,16H,1-3,9H2
InChIKeyUNVNWYAFSWYBKF-UHFFFAOYSA-N
MW306.21 g/mol
LogP3.45
Rot. Bonds2

About 2-[4-(5-bromopyrazol-1-yl)phenyl]piperidine

2-[4-(5-bromopyrazol-1-yl)phenyl]piperidine (PubChem CID 117491380) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is 2-[4-(5-bromopyrazol-1-yl)phenyl]piperidine.

Molecular Properties

Compound Name2-[4-(5-bromopyrazol-1-yl)phenyl]piperidine
PubChem CID117491380
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name2-[4-(5-bromopyrazol-1-yl)phenyl]piperidine
SMILESBrc1ccnn1-c1ccc(C2CCCCN2)cc1
InChIInChI=1S/C14H16BrN3/c15-14-8-10-17-18(14)12-6-4-11(5-7-12)13-3-1-2-9-16-13/h4-8,10,13,16H,1-3,9H2
InChIKeyUNVNWYAFSWYBKF-UHFFFAOYSA-N
XLogP3.45
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-1-(4-pyrrolidin-2-ylphenyl)pyrazole
CID 117372547
(2S)-2-(4-bromophenyl)piperidine
CID 7022866
3-(4-piperidin-2-ylphenyl)-1H-imidazol-2-one
CID 117360253
4-piperidin-2-ylphenol
CID 19711202
(2S)-2-phenylpiperidine
CID 10997356
trimethyl-[4-[(2S)-piperidin-2-yl]phenoxy]silane
CID 171195003
(2R)-2-(4-chlorophenyl)piperidine;hydrochloride
CID 155903197
1-(4-pyrrolidin-2-ylphenyl)pyrrolidine;hydrochloride
CID 163230247
2-pyridazin-4-ylazepane
CID 104670038
(2R)-2-[4-(4-methylphenyl)phenyl]piperidine
CID 165347942
4-[(2S)-piperidin-2-yl]pyridazine;hydrochloride
CID 138376376
2-(4-tert-butylphenyl)piperidine
CID 4137790

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-bromopyrazol-1-yl)phenyl]piperidine?
The IUPAC name of 2-[4-(5-bromopyrazol-1-yl)phenyl]piperidine (CID 117491380) is 2-[4-(5-bromopyrazol-1-yl)phenyl]piperidine.
What is the SMILES notation for 2-[4-(5-bromopyrazol-1-yl)phenyl]piperidine?
The canonical SMILES for 2-[4-(5-bromopyrazol-1-yl)phenyl]piperidine is Brc1ccnn1-c1ccc(C2CCCCN2)cc1.
What is the InChIKey of 2-[4-(5-bromopyrazol-1-yl)phenyl]piperidine?
The InChIKey is UNVNWYAFSWYBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c15-14-8-10-17-18(14)12-6-4-11(5-7-12)13-3-1-2-9-16-13/h4-8,10,13,16H,1-3,9H2.
What are the key properties of 2-[4-(5-bromopyrazol-1-yl)phenyl]piperidine?
2-[4-(5-bromopyrazol-1-yl)phenyl]piperidine has a molecular weight of 306.21 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-bromopyrazol-1-yl)phenyl]piperidine is sourced from PubChem (CID 117491380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).