1-(5-bromo-3-pyridinyl)-4-[4-(3-methylphenyl)cyclohexyl]piperazine

C22H28BrN3 — CID 155289390

IUPAC1-(5-bromo-3-pyridinyl)-4-[4-(3-methylphenyl)cyclohexyl]piperazine
SMILESCc1cccc([C@H]2CC[C@@H](N3CCN(c4cncc(Br)c4)CC3)CC2)c1
InChIInChI=1S/C22H28BrN3/c1-17-3-2-4-19(13-17)18-5-7-21(8-6-18)25-9-11-26(12-10-25)22-14-20(23)15-24-16-22/h2-4,13-16,18,21H,5-12H2,1H3/t18-,21+
InChIKeyGPGOZHVXQXMXPF-RVWIWJKTSA-N
MW414.39 g/mol
LogP5.00
Rot. Bonds3

About 1-(5-bromo-3-pyridinyl)-4-[4-(3-methylphenyl)cyclohexyl]piperazine

1-(5-bromo-3-pyridinyl)-4-[4-(3-methylphenyl)cyclohexyl]piperazine (PubChem CID 155289390) has the molecular formula C22H28BrN3 and a molecular weight of 414.39 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)-4-[4-(3-methylphenyl)cyclohexyl]piperazine.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)-4-[4-(3-methylphenyl)cyclohexyl]piperazine
PubChem CID155289390
Molecular FormulaC22H28BrN3
Molecular Weight414.39 g/mol
Exact Mass413.15
IUPAC Name1-(5-bromo-3-pyridinyl)-4-[4-(3-methylphenyl)cyclohexyl]piperazine
SMILESCc1cccc([C@H]2CC[C@@H](N3CCN(c4cncc(Br)c4)CC3)CC2)c1
InChIInChI=1S/C22H28BrN3/c1-17-3-2-4-19(13-17)18-5-7-21(8-6-18)25-9-11-26(12-10-25)22-14-20(23)15-24-16-22/h2-4,13-16,18,21H,5-12H2,1H3/t18-,21+
InChIKeyGPGOZHVXQXMXPF-RVWIWJKTSA-N
XLogP5.00
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.39
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 6834
Zimelidine
CID 5365247
Dexbrompheniramine
CID 16960
(2E)-3-(4-Bromophenyl)-N,N-dimethyl-3-(3-pyridinyl)-2-propen-1-amine
CID 5458656
TRPV6 inhibitor cis-22 a
CID 155289389
3-[5-(4-Bromophenyl)-3-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane
CID 122193501
(-)-Brompheniramine
CID 6328079
Piperazine, 1-(3-amino-5-bromo-4-pyridyl)-4-(p-tolyl)-
CID 97232
1-(4-Phenylcyclohexyl)-4-(pyridin-3-ylmethyl)piperazine
CID 786338
[3-(3-Bromo-phenyl)-3-pyridin-3-yl-allyl]-dimethyl-amine
CID 20478929
(Z)-4-(4-bromophenyl)-N,N-dimethyl-4-pyridin-3-ylbut-3-en-1-amine
CID 44383358
3-[[(2R,3S,4S)-4-(2-bromophenyl)-3-nitro-2-phenylpiperidin-1-yl]methyl]pyridine
CID 44428352

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)-4-[4-(3-methylphenyl)cyclohexyl]piperazine?
The IUPAC name of 1-(5-bromo-3-pyridinyl)-4-[4-(3-methylphenyl)cyclohexyl]piperazine (CID 155289390) is 1-(5-bromo-3-pyridinyl)-4-[4-(3-methylphenyl)cyclohexyl]piperazine.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)-4-[4-(3-methylphenyl)cyclohexyl]piperazine?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)-4-[4-(3-methylphenyl)cyclohexyl]piperazine is Cc1cccc([C@H]2CC[C@@H](N3CCN(c4cncc(Br)c4)CC3)CC2)c1.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)-4-[4-(3-methylphenyl)cyclohexyl]piperazine?
The InChIKey is GPGOZHVXQXMXPF-RVWIWJKTSA-N. The full InChI is InChI=1S/C22H28BrN3/c1-17-3-2-4-19(13-17)18-5-7-21(8-6-18)25-9-11-26(12-10-25)22-14-20(23)15-24-16-22/h2-4,13-16,18,21H,5-12H2,1H3/t18-,21+.
What are the key properties of 1-(5-bromo-3-pyridinyl)-4-[4-(3-methylphenyl)cyclohexyl]piperazine?
1-(5-bromo-3-pyridinyl)-4-[4-(3-methylphenyl)cyclohexyl]piperazine has a molecular weight of 414.39 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-pyridinyl)-4-[4-(3-methylphenyl)cyclohexyl]piperazine is sourced from PubChem (CID 155289390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).