2-[4-(4-bromophenyl)cyclopenta-1,3-dien-1-yl]piperidine

C16H18BrN — CID 159361610

IUPAC2-[4-(4-bromophenyl)cyclopenta-1,3-dien-1-yl]piperidine
SMILESBrc1ccc(C2=CC=C(C3CCCCN3)C2)cc1
InChIInChI=1S/C16H18BrN/c17-15-8-6-12(7-9-15)13-4-5-14(11-13)16-3-1-2-10-18-16/h4-9,16,18H,1-3,10-11H2
InChIKeyORTXYCHIDWMQPI-UHFFFAOYSA-N
MW304.23 g/mol
LogP4.30
Rot. Bonds2

About 2-[4-(4-bromophenyl)cyclopenta-1,3-dien-1-yl]piperidine

2-[4-(4-bromophenyl)cyclopenta-1,3-dien-1-yl]piperidine (PubChem CID 159361610) has the molecular formula C16H18BrN and a molecular weight of 304.23 g/mol. Its IUPAC name is 2-[4-(4-bromophenyl)cyclopenta-1,3-dien-1-yl]piperidine.

Molecular Properties

Compound Name2-[4-(4-bromophenyl)cyclopenta-1,3-dien-1-yl]piperidine
PubChem CID159361610
Molecular FormulaC16H18BrN
Molecular Weight304.23 g/mol
Exact Mass303.06
IUPAC Name2-[4-(4-bromophenyl)cyclopenta-1,3-dien-1-yl]piperidine
SMILESBrc1ccc(C2=CC=C(C3CCCCN3)C2)cc1
InChIInChI=1S/C16H18BrN/c17-15-8-6-12(7-9-15)13-4-5-14(11-13)16-3-1-2-10-18-16/h4-9,16,18H,1-3,10-11H2
InChIKeyORTXYCHIDWMQPI-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.23
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-(4-bromophenyl)cyclopenta-1,3-dien-1-yl]pyrrolidine
CID 140809098
(2S)-2-(4-bromophenyl)piperidine
CID 7022866
2-[5-(4-bromophenyl)-1H-imidazol-2-yl]piperidine
CID 43651125
CID 144634079
CID 144634079
2-(2,4-dibromophenyl)azepane
CID 107938538
4-bromo-2-piperidin-2-ylphenol
CID 82623427
5-bromo-2-[(2S)-piperidin-2-yl]pyridine;hydrochloride
CID 171194911
(2R)-2-(5-bromo-2-chlorophenyl)piperidine
CID 130632446
(2R)-2-(5-bromothiophen-2-yl)piperidine
CID 7048175
(2R)-2-[4-(4-methylphenyl)phenyl]piperidine
CID 165347942
2-(2-bromo-3-fluorophenyl)piperidine
CID 84709368
(2R)-2-(2,5-dibromophenyl)pyrrolidine
CID 131190573

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromophenyl)cyclopenta-1,3-dien-1-yl]piperidine?
The IUPAC name of 2-[4-(4-bromophenyl)cyclopenta-1,3-dien-1-yl]piperidine (CID 159361610) is 2-[4-(4-bromophenyl)cyclopenta-1,3-dien-1-yl]piperidine.
What is the SMILES notation for 2-[4-(4-bromophenyl)cyclopenta-1,3-dien-1-yl]piperidine?
The canonical SMILES for 2-[4-(4-bromophenyl)cyclopenta-1,3-dien-1-yl]piperidine is Brc1ccc(C2=CC=C(C3CCCCN3)C2)cc1.
What is the InChIKey of 2-[4-(4-bromophenyl)cyclopenta-1,3-dien-1-yl]piperidine?
The InChIKey is ORTXYCHIDWMQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN/c17-15-8-6-12(7-9-15)13-4-5-14(11-13)16-3-1-2-10-18-16/h4-9,16,18H,1-3,10-11H2.
What are the key properties of 2-[4-(4-bromophenyl)cyclopenta-1,3-dien-1-yl]piperidine?
2-[4-(4-bromophenyl)cyclopenta-1,3-dien-1-yl]piperidine has a molecular weight of 304.23 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-bromophenyl)cyclopenta-1,3-dien-1-yl]piperidine is sourced from PubChem (CID 159361610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).