4-[4-[1-(4-bromophenyl)ethenyl]piperidin-1-yl]-1,4-dimethylpiperidine

C20H29BrN2 — CID 142026010

IUPAC4-[4-[1-(4-bromophenyl)ethenyl]piperidin-1-yl]-1,4-dimethylpiperidine
SMILESC=C(c1ccc(Br)cc1)C1CCN(C2(C)CCN(C)CC2)CC1
InChIInChI=1S/C20H29BrN2/c1-16(17-4-6-19(21)7-5-17)18-8-12-23(13-9-18)20(2)10-14-22(3)15-11-20/h4-7,18H,1,8-15H2,2-3H3
InChIKeyNHQISNJKCVMYCW-UHFFFAOYSA-N
MW377.37 g/mol
LogP4.66
Rot. Bonds3

About 4-[4-[1-(4-bromophenyl)ethenyl]piperidin-1-yl]-1,4-dimethylpiperidine

4-[4-[1-(4-bromophenyl)ethenyl]piperidin-1-yl]-1,4-dimethylpiperidine (PubChem CID 142026010) has the molecular formula C20H29BrN2 and a molecular weight of 377.37 g/mol. Its IUPAC name is 4-[4-[1-(4-bromophenyl)ethenyl]piperidin-1-yl]-1,4-dimethylpiperidine.

Molecular Properties

Compound Name4-[4-[1-(4-bromophenyl)ethenyl]piperidin-1-yl]-1,4-dimethylpiperidine
PubChem CID142026010
Molecular FormulaC20H29BrN2
Molecular Weight377.37 g/mol
Exact Mass376.15
IUPAC Name4-[4-[1-(4-bromophenyl)ethenyl]piperidin-1-yl]-1,4-dimethylpiperidine
SMILESC=C(c1ccc(Br)cc1)C1CCN(C2(C)CCN(C)CC2)CC1
InChIInChI=1S/C20H29BrN2/c1-16(17-4-6-19(21)7-5-17)18-8-12-23(13-9-18)20(2)10-14-22(3)15-11-20/h4-7,18H,1,8-15H2,2-3H3
InChIKeyNHQISNJKCVMYCW-UHFFFAOYSA-N
XLogP4.66
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-3-(3-Bromo-phenyl)-1-propyl-piperidine
CID 10356389
Piperidine, 4-((4-bromophenyl)phenylmethylene)-1-methyl-, hydrochloride
CID 3076342
1-[(4-Bromophenyl)-phenylmethyl]-4-ethylpiperazine
CID 118119342
4-[(E)-2-(4-bromophenyl)ethenyl]-1-prop-2-ynylpiperidine
CID 134385635
N-(2-(4-bromophenyl)ethyl)-N-methyl-2-(1-piperidinyl)ethylamine
CID 380072
Piperidine, 1-(4-(p-bromophenyl)-2-butenyl)-, hydrochloride
CID 6445380
1-[1-(4-Bromophenyl)cyclohexyl]piperidine
CID 12673464
2-(4-bromophenyl)-N-methyl-N-(2-piperidin-1-ylethyl)ethanamine;hydrobromide
CID 380071
1-[(4-Bromophenyl)methyl]-4-piperidin-1-ylpiperidine
CID 782135
Piperazine, 1-(4-bromobenzhydryl)-4-methyl-
CID 154204746
4-[(4-Bromophenyl)(phenyl)methylene]-1-methylpiperidine
CID 3076343
(1S,5R)-7-(4-bromophenyl)-6-methyl-3-(2,2,2-trifluoroethyl)-3,6-diazabicyclo[3.1.1]heptane
CID 71759023

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-(4-bromophenyl)ethenyl]piperidin-1-yl]-1,4-dimethylpiperidine?
The IUPAC name of 4-[4-[1-(4-bromophenyl)ethenyl]piperidin-1-yl]-1,4-dimethylpiperidine (CID 142026010) is 4-[4-[1-(4-bromophenyl)ethenyl]piperidin-1-yl]-1,4-dimethylpiperidine.
What is the SMILES notation for 4-[4-[1-(4-bromophenyl)ethenyl]piperidin-1-yl]-1,4-dimethylpiperidine?
The canonical SMILES for 4-[4-[1-(4-bromophenyl)ethenyl]piperidin-1-yl]-1,4-dimethylpiperidine is C=C(c1ccc(Br)cc1)C1CCN(C2(C)CCN(C)CC2)CC1.
What is the InChIKey of 4-[4-[1-(4-bromophenyl)ethenyl]piperidin-1-yl]-1,4-dimethylpiperidine?
The InChIKey is NHQISNJKCVMYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29BrN2/c1-16(17-4-6-19(21)7-5-17)18-8-12-23(13-9-18)20(2)10-14-22(3)15-11-20/h4-7,18H,1,8-15H2,2-3H3.
What are the key properties of 4-[4-[1-(4-bromophenyl)ethenyl]piperidin-1-yl]-1,4-dimethylpiperidine?
4-[4-[1-(4-bromophenyl)ethenyl]piperidin-1-yl]-1,4-dimethylpiperidine has a molecular weight of 377.37 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(4-bromophenyl)ethenyl]piperidin-1-yl]-1,4-dimethylpiperidine is sourced from PubChem (CID 142026010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).